Model name: model_name=Sim_LAMMPS_TersoffZBL_HenrikssonBjorkasNordlund_2013_FeC__SM_473463498269_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6473073810338983
cohesive_energy=4.1514735882010125
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

========================================
theta = 0.0
========================================

Energy: 0.015779439698470454
Energy: 1.6103865235580328
Energy: 0.015779439698162374
Energy: 1.6103865235586148
Energy: 0.015779439698470454
Energy: 1.6103865235586148
Energy: 1.6103865235583068
Energy: 1.3811310485486175
Energy: 1.6103865235580328
Energy: 1.4087258019562017
Energy: 1.6103865235583068
Energy: 1.4087258019526074
Energy: 0.015779439698470454
Energy: 1.6103865235583068
Energy: 0.015779439698162374
Energy: 1.6103865235583068
Energy: 0.015779439698470454
Energy: 1.6103865235583068
Energy: 1.6103865235580328
Energy: 1.4087258019562017
Energy: 1.6103865235583068
Energy: 1.4087258019546953
Energy: 1.6103865235586148
Energy: 1.4087258019546953
Energy: 0.015779439698470454
Energy: 1.6103865235580328
Energy: 0.015779439698162374
Energy: 1.6103865235583068
Energy: 0.015779439698162374
Energy: 1.6103865235583068
Energy: 1.6103865235583068
Energy: 1.4087258019550035
Energy: 1.6103865235583068
Energy: 1.4087258019556197
Energy: 1.6103865235586148
Energy: 1.4087258019546953

minimum gb energy = 0.015779439698162374 eV
minimum distance =  2.49709994285556 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 1.785863116257108
Energy: 1.580311709305354
Energy: 1.785863116257108
Energy: 1.580311709303871
Energy: 1.785863116257108
Energy: 1.580311709303871
Energy: 1.8706784801624872
Energy: 1.3155109901256663
Energy: 1.8706784801661955
Energy: 1.3155109901256663
Energy: 1.8706784801669372
Energy: 1.3155109901256663
Energy: 1.5207738078487543
Energy: 1.6397185689336313
Energy: 1.5207738078480129
Energy: 1.639718568932148
Energy: 1.5207738078472712
Energy: 1.6397185689343727
Energy: 1.7830733797074947
Energy: 1.4818406260030716
Energy: 1.7830733797089777
Energy: 1.4818406260038133
Energy: 1.7830733797089777
Energy: 1.4818406260030716
Energy: 1.567817168404267
Energy: 1.741994318960304
Energy: 1.567817168404267
Energy: 1.741994318960304
Energy: 1.5678171684035256
Energy: 1.741994318960304
Energy: 1.6143241823738281
Energy: 1.518110419889598
Energy: 1.614324182372345
Energy: 1.5181104198925646
Energy: 1.6143241823738281
Energy: 1.5181104198918227
Energy: 1.524598077144562
Energy: 1.6362350042665301
Energy: 1.5245980771430787
Energy: 1.636235004264305
Energy: 1.6294808015754148
Energy: 1.6362350042628222
Energy: 1.507486995885339
Energy: 1.7840006135411286
Energy: 1.5074869958890469
Energy: 1.784000613538904
Energy: 1.5074869958897887
Energy: 1.7840006135411286
Energy: 1.6704913828645438
Energy: 1.520400779337078
Energy: 1.6704913828638022
Energy: 1.5204007793363363
Energy: 1.6704913828638022
Energy: 1.5204007793363363
Energy: 1.317839610499607
Energy: 1.754249213270333
Energy: 1.3178396104988654
Energy: 1.7542492132718162
Energy: 1.3178396105003487
Energy: 1.7542492132747822
Energy: 1.6335606685885753
Energy: 1.3411506339362338
Energy: 1.6335606685885753
Energy: 1.341150633934009
Energy: 1.6335606685885753
Energy: 1.3411506339347508
Energy: 1.3866065566031178
Energy: 2.112790909611922
Energy: 1.3866065566016346
Energy: 2.112790909611922
Energy: 1.3866065566031178
Energy: 2.112790909611922
Energy: 1.8530750295184986
Energy: 1.3091077652337688
Energy: 1.8530750295192397
Energy: 1.3091077652322856
Energy: 1.8530750295162737
Energy: 1.3091077652337688
Energy: 1.4975208571625211
Energy: 1.557637114414547
Energy: 1.497520857164746
Energy: 1.5576371144189964
Energy: 1.4975208571625211
Energy: 1.5576371144167718
Energy: 1.8571123511293621
Energy: 1.376961034381809
Energy: 1.8571123511301038
Energy: 1.376961034381809
Energy: 1.8571123511301038
Energy: 1.376961034382551
Energy: 1.8491311115652938
Energy: 1.7083590623166447
Energy: 1.8491311115675182
Energy: 1.7083590623173859
Energy: 1.8491311115652938
Energy: 1.7083590623151614
Energy: 1.6367880446247862
Energy: 1.6724156306885023
Energy: 1.6367880446247862
Energy: 1.672415630687761
Energy: 1.6367880446262695
Energy: 1.672415630687019
Energy: 1.641236184258505
Energy: 1.5017380986264732
Energy: 1.6412361842577634
Energy: 1.5017380986309228
Energy: 1.641236184258505
Energy: 1.5017380986309228
Energy: 1.4452688725072136
Energy: 1.5365930836124573
Energy: 1.4452688725072136
Energy: 1.5365930836124573
Energy: 1.4452688725072136
Energy: 1.5365930836124573
Energy: 1.673406415196794
Energy: 1.5223696026206956
Energy: 1.6734064151975354
Energy: 1.5223696026206956
Energy: 1.6734064151960522
Energy: 1.522369602619954
Energy: 1.4357548465392589
Energy: 2.002598427150693
Energy: 1.4357548465392589
Energy: 2.0025984271499517
Energy: 1.4357548465392589
Energy: 2.0025984271499517
Energy: 1.6197959867430305
Energy: 1.6204942164136231
Energy: 1.6197959867452554
Energy: 1.6204942164143648
Energy: 1.619795986745997
Energy: 1.6204942164136231
Energy: 1.1922396039122218
Energy: 2.0792119455726343
Energy: 1.192239603912963
Energy: 2.079211945573376
Energy: 1.1922396039137049
Energy: 2.0792119455726343

minimum gb energy = 1.1922396039122218 eV
minimum distance =  2.4012404744 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 1.5008563227876537
Energy: 1.6633198263604347
Energy: 1.432817639083923
Energy: 1.6633198263600129
Energy: 1.5008563227880753
Energy: 1.6633198263604347
Energy: 1.657372814304638
Energy: 1.5786617590951557
Energy: 1.657372814304638
Energy: 1.5786617590955774
Energy: 1.657372814304216
Energy: 1.5786617590955774
Energy: 1.4860144839751739
Energy: 1.508239700428228
Energy: 1.4860144839751739
Energy: 1.5082397004307588
Energy: 1.4860144839739087
Energy: 1.5082397004206354
Energy: 1.7236741785934095
Energy: 1.7689769612839692
Energy: 1.7236741785938314
Energy: 1.7689769612835473
Energy: 1.7236741785934095
Energy: 1.7689769612839692
Energy: 1.5858199755190394
Energy: 1.62477460824267
Energy: 1.5858199755190394
Energy: 1.6247746082418262
Energy: 1.5858199755186175
Energy: 1.6247746082422478
Energy: 1.6386115488515716
Energy: 1.448749487008584
Energy: 1.6386115488515716
Energy: 1.4487494870068967
Energy: 1.6386115488519932
Energy: 1.4487494870077404
Energy: 1.5755758287455324
Energy: 1.6970790567037457
Energy: 1.5755758287683101
Energy: 1.6970790567037457
Energy: 1.575575828751016
Energy: 1.6970790567037457
Energy: 1.2866006972575408
Energy: 1.7623079202907308
Energy: 1.2866006972571191
Energy: 1.762307920290309
Energy: 1.2866006972566972
Energy: 1.762307920290309
Energy: 1.4644899780838136
Energy: 1.4776662436937211
Energy: 1.4644899780842358
Energy: 1.4776662436945647
Energy: 1.4644899780846572
Energy: 1.4776662436941428
Energy: 1.3133734095045648
Energy: 1.6836764588687023
Energy: 1.3136727884156565
Energy: 1.6836764588695463
Energy: 1.313373409504143
Energy: 1.6836764588682807
Energy: 1.878711026610301
Energy: 1.246378495085448
Energy: 1.8787110266090357
Energy: 1.246378495085448
Energy: 1.8787110266111449
Energy: 1.246378495085448
Energy: 1.483165668297113
Energy: 1.4083981665133545
Energy: 1.4831656538620914
Energy: 1.4083981665150418
Energy: 1.4831656682966912
Energy: 1.4083981665158856
Energy: 1.6966785823696375
Energy: 1.348703734940446
Energy: 1.696678582368372
Energy: 1.348703734940446
Energy: 1.6966785823696375
Energy: 1.348703734940446
Energy: 1.4331842132470023
Energy: 1.666286292629856
Energy: 1.433184213247424
Energy: 1.6662862927542514
Energy: 1.433184213247424
Energy: 1.666286292866375
Energy: 1.5048421042537141
Energy: 1.5812383677749355
Energy: 1.5048421042575104
Energy: 1.5812383677745137
Energy: 1.5048421042554014
Energy: 1.5812383677740922
Energy: 1.4579507018348639
Energy: 1.5114359716720949
Energy: 1.4579507018357076
Energy: 1.5114359716720949
Energy: 1.457950701836129
Energy: 1.5114359716720949
Energy: 1.7429645156022455
Energy: 1.8384232288927929
Energy: 1.7429645156022455
Energy: 1.8384232288915272
Energy: 1.7429645155980276
Energy: 1.838423228891949
Energy: 1.5818092513335837
Energy: 1.475893444229031
Energy: 1.5818092513340056
Energy: 1.4758934442302964
Energy: 1.5818092513348494
Energy: 1.4758934442294527
Energy: 1.6259129827475736
Energy: 1.6000046566057304
Energy: 1.6259129827479954
Energy: 1.6000046566053088
Energy: 1.6259129827475736
Energy: 1.6000046566053088
Energy: 1.6346883959620835
Energy: 1.4359441015869823
Energy: 1.634688395962927
Energy: 1.435944101587826
Energy: 1.6346883959625054
Energy: 1.4359441015861387
Energy: 1.2829948952008623
Energy: 1.762434847227791
Energy: 1.2829948952012842
Energy: 1.7624348472269475
Energy: 1.2829948952000187
Energy: 1.762434847227791
Energy: 1.8916765534225195
Energy: 1.4798166284482752
Energy: 1.8916765534225195
Energy: 1.4798166284482752
Energy: 1.8916765534229412
Energy: 1.4798166284482752
Energy: 1.158436484360423
Energy: 1.6872024845106324
Energy: 1.1584444341588642
Energy: 1.6872024845097888
Energy: 1.1584364843608448
Energy: 1.687202484509367
Energy: 1.711961952872142
Energy: 1.5238803444465898
Energy: 1.711961952872142
Energy: 1.5238803444461682
Energy: 1.7119619528712984
Energy: 1.5238803444444806
Energy: 1.4768944409146927
Energy: 1.61767369519124
Energy: 1.4768585913667198
Energy: 1.61767369519124
Energy: 1.4768944409151143
Energy: 1.6176736951899746
Energy: 1.766955458765866
Energy: 1.6779368450750614
Energy: 1.698085036503112
Energy: 1.677936845074639
Energy: 1.7669554587650222
Energy: 1.6779368450750614
Energy: 1.733839144220986
Energy: 1.5565455329561027
Energy: 1.6984190819441807
Energy: 1.556545532945558
Energy: 1.7338391442214078
Energy: 1.5565455329151878
Energy: 1.482354490513264
Energy: 1.5735441852609098
Energy: 1.482354490513264
Energy: 1.5735441852609098
Energy: 1.4823544905136858
Energy: 1.5735441852604877
Energy: 1.7730698797108484
Energy: 1.508602160600221
Energy: 1.7730698797104265
Energy: 1.508602160600221
Energy: 1.77306987971127
Energy: 1.508602160600221
Energy: 1.166149794375083
Energy: 1.8621639632091194
Energy: 1.1661497943788794
Energy: 1.8621639631998397
Energy: 1.1661497943780355
Energy: 1.8621639631985742
Energy: 1.9678591430273222
Energy: 1.4778616200450132
Energy: 1.9678591430269006
Energy: 1.4778616200445915
Energy: 1.9678591430269006
Energy: 1.477861620045857
Energy: 1.3471874195382496
Energy: 1.6966607876460909
Energy: 1.3471874195382496
Energy: 1.6966607876460909
Energy: 1.3471874195378277
Energy: 1.6966607876460909
Energy: 1.636907412275079
Energy: 1.435750357831249
Energy: 1.6369074122797191
Energy: 1.4357503578320925
Energy: 1.6369074122801408
Energy: 1.435750357832476
Energy: 1.5460066816612301
Energy: 1.6738021963497718
Energy: 1.5460066816624956
Energy: 1.6738021963506153
Energy: 1.5460066816620737
Energy: 1.6738021963493497
Energy: 1.526035304775011
Energy: 1.476364218635357
Energy: 1.526035304775011
Energy: 1.4763642186345134
Energy: 1.5260353047758546
Energy: 1.476364218634935
Energy: 1.720176126116962
Energy: 1.7256926415829508
Energy: 1.7201761261165396
Energy: 1.7256926415837943
Energy: 1.7201761261173836
Energy: 1.725692641581264
Energy: 1.4838103172862611
Energy: 1.589340956801076
Energy: 1.4838360310948686
Energy: 1.5893409568014973
Energy: 1.4838103172858395
Energy: 1.589340956801076
Energy: 1.6007913847828112
Energy: 1.6224611300535878
Energy: 1.6007913847836552
Energy: 1.6224611300527438
Energy: 1.6007913847828112
Energy: 1.6224611300535878
Energy: 1.4331158921706335
Energy: 1.6367021098667212
Energy: 1.4331158921710552
Energy: 1.6367021098662995
Energy: 1.4331158921710552
Energy: 1.6367021098667212
Energy: 1.761994259549939
Energy: 1.285889920075785
Energy: 1.7619942595507823
Energy: 1.2858899200762068
Energy: 1.7619942595516258
Energy: 1.285889920075785
Energy: 1.4832005527722922
Energy: 1.3689931232887922
Energy: 1.4832005527722922
Energy: 1.3689931232887922
Energy: 1.4832005527722922
Energy: 1.3689931232925887

minimum gb energy = 1.158436484360423 eV
minimum distance =  2.40882564022135 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 1.5508334529846728
Energy: 1.6656177715615688
Energy: 1.55083345298565
Energy: 1.6656177715615688
Energy: 1.55083345298565
Energy: 1.6656177715605913
Energy: 1.710698900860935
Energy: 1.4331949250609586
Energy: 1.710698900860935
Energy: 1.4331949250638905
Energy: 1.710698900860935
Energy: 1.4331949250629132
Energy: 1.4879625448299032
Energy: 2.042902532152829
Energy: 1.4879625448299032
Energy: 2.042902532152829
Energy: 1.4879625448299032
Energy: 2.042902532152829
Energy: 1.5588881918651614
Energy: 1.272947575514534
Energy: 1.5588881918661386
Energy: 1.2729475755155115
Energy: 1.5588881918651614
Energy: 1.2729475755125794
Energy: 1.6753597131198754
Energy: 1.5272010451916556
Energy: 1.6753597131208529
Energy: 1.5272010451906783
Energy: 1.6753597131198754
Energy: 1.5272010451916556
Energy: 1.8419196220843874
Energy: 1.5270255061690519
Energy: 1.84191962208341
Energy: 1.5270255061690519
Energy: 1.8419196220843874
Energy: 1.5270255061690519
Energy: 1.736586507754617
Energy: 1.4649180490441371
Energy: 1.7365865077555942
Energy: 1.4649180490441371
Energy: 1.736586507754617
Energy: 1.4649180490441371
Energy: 1.3768802886114937
Energy: 1.52702798730443
Energy: 1.3768802886114937
Energy: 1.5270279873063846
Energy: 1.3768802886105163
Energy: 1.5270279873034525
Energy: 1.8538735707872513
Energy: 1.2734779160789087
Energy: 1.8538735707872513
Energy: 1.2734779160779315
Energy: 1.8538735707872513
Energy: 1.2734779160789087
Energy: 1.5007354566041642
Energy: 1.944888285899128
Energy: 1.5007354566051414
Energy: 1.944888285899128
Energy: 1.5007354566041642
Energy: 1.944888285899128
Energy: 1.881894671084527
Energy: 1.3014511353381182
Energy: 1.881894671084527
Energy: 1.3014511353390954
Energy: 1.8818946710855045
Energy: 1.3014511353390954
Energy: 1.5506966941518023
Energy: 1.6682744354866972
Energy: 1.5506966941518023
Energy: 1.6682744354857197
Energy: 1.5506966941527796
Energy: 1.6682744354866972
Energy: 1.662733842785249
Energy: 1.4030026625083882
Energy: 1.6627338427813394
Energy: 1.4030026625083882
Energy: 1.662733842783294
Energy: 1.4030026625083882
Energy: 1.454651280752322
Energy: 1.5009837364080867
Energy: 1.4546512807513448
Energy: 1.5009837364080867
Energy: 1.454651280752322
Energy: 1.5009837364080867
Energy: 1.4948675782673582
Energy: 1.571030883986967
Energy: 1.494867578266381
Energy: 1.571030883986967
Energy: 1.4948675782673582
Energy: 1.571030883986967
Energy: 1.8295445217291553
Energy: 1.527527331753283
Energy: 1.829544521728178
Energy: 1.5275273317552376
Energy: 1.8295445217291553
Energy: 1.5275273317562148
Energy: 1.748837286643753
Energy: 1.6290838973846375
Energy: 1.748837286643753
Energy: 1.6290838973807282
Energy: 1.748837286643753
Energy: 1.6290838973846375
Energy: 1.629857216041617
Energy: 1.5261923981241237
Energy: 1.62985721604064
Energy: 1.5261923981260783
Energy: 1.6298572160425944
Energy: 1.526192398125101

minimum gb energy = 1.2729475755125794 eV
minimum distance =  2.35303622343706 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 1.6035073865474798
Energy: 1.3561067621556215
Energy: 1.6035073865474798
Energy: 1.3561067621556215
Energy: 1.6035073865474798
Energy: 1.3561067621550416
Energy: 1.5515431916134506
Energy: 1.7802370011490263
Energy: 1.55154319161403
Energy: 1.7802370011490263
Energy: 1.55154319161403
Energy: 1.780237001149606
Energy: 1.0032253150039003
Energy: 1.664116987003097
Energy: 1.0032253150027408
Energy: 1.6641169869920822
Energy: 1.0032253150033204
Energy: 1.664116987003097
Energy: 1.4755936441983486
Energy: 1.0025520361155738
Energy: 1.4755936441994817
Energy: 1.0025520361155738
Energy: 1.4755936442000614
Energy: 1.002552036116733
Energy: 1.313973383944717
Energy: 1.4475546630898164
Energy: 1.313973383944717
Energy: 1.4475546630898164
Energy: 1.313973383944717
Energy: 1.4475546630898164
Energy: 1.3139252451770784
Energy: 1.4478152592123812
Energy: 1.3139252451776582
Energy: 1.447815259210642
Energy: 1.3139252451770784
Energy: 1.4478152592094826
Energy: 1.4757912666048152
Energy: 1.0025588687275677
Energy: 1.4757912666059747
Energy: 1.0025588687298865
Energy: 1.4757912666048152
Energy: 1.002558868728727
Energy: 1.0037187512391923
Energy: 1.3849002120102045
Energy: 1.0037187512386128
Energy: 1.384900212011364
Energy: 1.0037187512391923
Energy: 1.3849002120078857
Energy: 1.5516369921094788
Energy: 1.7802585746124375
Energy: 1.551636992110638
Energy: 1.7802585746112782
Energy: 1.5516369921117976
Energy: 1.7802585746118578
Energy: 1.6035073865474798
Energy: 1.3561067621550416
Energy: 1.6035073865474798
Energy: 1.3561067621550416
Energy: 1.6035073865480596
Energy: 1.3561067621556215
Energy: 1.55154319161461
Energy: 1.780237001149606
Energy: 1.5515431916163491
Energy: 1.7802370011490263
Energy: 1.5515431916151896
Energy: 1.7802370011484465
Energy: 1.0032253150021608
Energy: 1.6641169869967198
Energy: 1.0032253150033204
Energy: 1.66411698699614
Energy: 1.0032253150033204
Energy: 1.66411698699614
Energy: 1.4755936441989022
Energy: 1.0025520361173128
Energy: 1.4755936442018007
Energy: 1.0025520361178923
Energy: 1.4755936441994817
Energy: 1.002552036116733
Energy: 1.313973383944717
Energy: 1.4475546630892366
Energy: 1.313973383944717
Energy: 1.4475546630903697
Energy: 1.313973383944717
Energy: 1.4475546630903697
Energy: 1.3139252451770784
Energy: 1.4478152592094826
Energy: 1.3139252451776582
Energy: 1.4478152592100624
Energy: 1.3139252451776582
Energy: 1.4478152592100624
Energy: 1.4757912666065545
Energy: 1.0025588687275677
Energy: 1.4757912666059747
Energy: 1.002558868728727
Energy: 1.4757912666059747
Energy: 1.0025588687293068
Energy: 1.0037187512391923
Energy: 1.384900212007306
Energy: 1.0037187512391923
Energy: 1.3849002120061464
Energy: 1.0037187512391923
Energy: 1.3849002120084655
Energy: 1.5516369921094788
Energy: 1.7802585746118578
Energy: 1.5516369921100583
Energy: 1.7802585746112782
Energy: 1.551636992110638
Energy: 1.7802585746118578
Energy: 1.6035073865474798
Energy: 1.3561067621550416
Energy: 1.6035073865474798
Energy: 1.3561067621556215
Energy: 1.6035073865480596
Energy: 1.356106762154462
Energy: 1.55154319161403
Energy: 1.7802370011501858
Energy: 1.5515431916134506
Energy: 1.780237001149606
Energy: 1.5515431916151896
Energy: 1.7802370011507656
Energy: 1.0032253150010015
Energy: 1.6641169869915027
Energy: 1.0032253150015813
Energy: 1.6641169869920822
Energy: 1.0032253150010015
Energy: 1.6641169869915027
Energy: 1.4755936441983486
Energy: 1.002552036116733
Energy: 1.4755936441966095
Energy: 1.0025520361178923
Energy: 1.4755936441983486
Energy: 1.0025520361161533
Energy: 1.313973383944717
Energy: 1.4475546630898164
Energy: 1.3139733839452965
Energy: 1.4475546630898164
Energy: 1.313973383944137
Energy: 1.4475546630903697
Energy: 1.3139252451770784
Energy: 1.4478152592100624
Energy: 1.3139252451776582
Energy: 1.4478152592100624
Energy: 1.3139252451764987
Energy: 1.4478152592100624
Energy: 1.4757912666059747
Energy: 1.002558868728727
Energy: 1.4757912666053947
Energy: 1.0025588687275677
Energy: 1.4757912666059747
Energy: 1.0025588687275677
Energy: 1.003718751238033
Energy: 1.384900212007306
Energy: 1.0037187512362935
Energy: 1.384900212007306
Energy: 1.003718751238033
Energy: 1.3849002120078857
Energy: 1.5516369921100583
Energy: 1.7802585746130175
Energy: 1.551636992110638
Energy: 1.7802585746124375
Energy: 1.5516369921117976
Energy: 1.7802585746124375
Energy: 1.6035073865480596
Energy: 1.3561067621550416
Energy: 1.6035073865469003
Energy: 1.3561067621556215
Energy: 1.6035073865474798
Energy: 1.356106762154462
Energy: 1.5515431916128708
Energy: 1.780237001149606
Energy: 1.5515431916163491
Energy: 1.780237001149606
Energy: 1.55154319161461
Energy: 1.780237001149606
Energy: 1.003225315000422
Energy: 1.664116986990923
Energy: 1.0032253150021608
Energy: 1.6641169869891836
Energy: 1.0032253150021608
Energy: 1.664116986990923

minimum gb energy = 1.0025520361155738 eV
minimum distance =  2.33653311767026 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 1.3803032854334631
Energy: 1.361680660090289
Energy: 1.3803032854320432
Energy: 1.361680660090289
Energy: 1.3803032854320432
Energy: 1.361680660090289
Energy: 1.5557553542673022
Energy: 1.4466852662854128
Energy: 1.5557553542673022
Energy: 1.4466852662854128
Energy: 1.5557553542673022
Energy: 1.4466852662854128
Energy: 1.3139165559156165
Energy: 1.445925912944921
Energy: 1.3139165559156165
Energy: 1.445925912944921
Energy: 1.3139165559156165
Energy: 1.445925912943501
Energy: 1.5366814809734033
Energy: 1.3483859316040285
Energy: 1.5366814809734033
Energy: 1.3483859316040285
Energy: 1.5366814809734033
Energy: 1.3483859316040285
Energy: 1.6773941707314282
Energy: 1.2668504108699297
Energy: 1.6773941707314282
Energy: 1.2668504108699297
Energy: 1.6773941707314282
Energy: 1.2668504108699297
Energy: 1.4088359951157183
Energy: 1.8054273490778532
Energy: 1.4088359951142986
Energy: 1.8054273490778532
Energy: 1.4088359951157183
Energy: 1.8054273490778532
Energy: 1.2940625741628256
Energy: 1.3993613166188414
Energy: 1.2940625741614056
Energy: 1.3993613166188414
Energy: 1.2940625741614056
Energy: 1.3993613166188414
Energy: 1.3774335698739633
Energy: 1.3628853385832664
Energy: 1.3774335698739633
Energy: 1.3628853385832664
Energy: 1.3774335698739633
Energy: 1.3628853385832664
Energy: 1.399287239426554
Energy: 1.263908754737956
Energy: 1.399287239430814
Energy: 1.263908755433441
Energy: 1.399287239418034
Energy: 1.2639087557783755
Energy: 1.3846730583058944
Energy: 1.4449308630701447
Energy: 1.3846730583058944
Energy: 1.4449308630701447
Energy: 1.3846730583058944
Energy: 1.4449308630701447
Energy: 1.2190731230350964
Energy: 1.348707224251566
Energy: 1.2190731230393244
Energy: 1.348707224251566
Energy: 1.3466944575992952
Energy: 1.348707224251566
Energy: 1.679775210280739
Energy: 1.396963542010326
Energy: 1.679775210280739
Energy: 1.3969635420003859
Energy: 1.679775210279319
Energy: 1.3969635420472142

minimum gb energy = 1.2190731230350964 eV
minimum distance =  2.34295991480265 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 1.5276465218082251
Energy: 1.1776561034676516
Energy: 1.527646521807427
Energy: 1.1776561034672526
Energy: 1.527646521807427
Energy: 1.1776561034664546
Energy: 1.7511188309030072
Energy: 1.2096901963837108
Energy: 1.7511188309034063
Energy: 1.3291236330954526
Energy: 1.7511188309034063
Energy: 1.3291236330958518
Energy: 1.1473938298463566
Energy: 1.6620499982560843
Energy: 1.1473938298455586
Energy: 1.6620499982560843
Energy: 1.1473938298435638
Energy: 1.6620499982572448
Energy: 1.1699814181722488
Energy: 1.145149223709419
Energy: 1.1699814181734458
Energy: 1.145149223709419
Energy: 1.16998141817185
Energy: 1.1451492237090197
Energy: 1.2950774700720613
Energy: 1.1988058920871898
Energy: 1.2950774700724603
Energy: 1.1988058920728262
Energy: 1.2950774700736574
Energy: 1.1988058920983253
Energy: 1.411946698288697
Energy: 1.2528311627411055
Energy: 1.411946698287899
Energy: 1.241944149001116
Energy: 1.411946698288697
Energy: 1.241944149001914
Energy: 1.160606617250666
Energy: 1.2932466828097324
Energy: 1.160606617250267
Energy: 1.2932466828097324
Energy: 1.160606617249868
Energy: 1.2932466828097324
Energy: 1.1318896966134155
Energy: 1.4920186274089982
Energy: 1.1318896966126175
Energy: 1.4920186274085991
Energy: 1.1318896966138148
Energy: 1.4920186274085991
Energy: 1.710336076091503
Energy: 1.204060940581185
Energy: 1.710336076091104
Energy: 1.204060940580786
Energy: 1.710336076091104
Energy: 1.204060940586372
Energy: 1.2426337586081773
Energy: 1.4645920858322303
Energy: 1.242633758612965
Energy: 1.464592085831033
Energy: 1.242633758609374
Energy: 1.4645920858270431
Energy: 1.1711763581193348
Energy: 1.1504148883657264
Energy: 1.1711763581193348
Energy: 1.1504148883661252
Energy: 1.1711763581193348
Energy: 1.1504148883661252
Energy: 1.1501100180477315
Energy: 1.3682301041405078
Energy: 1.1501100180469335
Energy: 1.3682301041401088
Energy: 1.1501100180477315
Energy: 1.3682301041429015
Energy: 1.1929857803677963
Energy: 1.153025094973094
Energy: 1.1929857803948913
Energy: 1.153025094975488
Energy: 1.1929857803713872
Energy: 1.153025094973892
Energy: 1.3622275525093097
Energy: 1.6548906617254668
Energy: 1.3622275525065168
Energy: 1.6548906617254668
Energy: 1.3622275525077139
Energy: 1.6548906617270625
Energy: 1.157280302774229
Energy: 1.2483970765867132
Energy: 1.1572803027746283
Energy: 1.2483970765855164
Energy: 1.1572803027734313
Energy: 1.2483970765859151
Energy: 1.4270842529959136
Energy: 1.2570984977037796
Energy: 1.4270842529971106
Energy: 1.2570984977037796
Energy: 1.4270842529959136
Energy: 1.2570984977045776
Energy: 1.5770786882010623
Energy: 1.5343182680561465
Energy: 1.5770786882014614
Energy: 1.5343182680565453
Energy: 1.5770786882006633
Energy: 1.5343182680565453
Energy: 1.171004554326234
Energy: 1.1946205984051115
Energy: 1.1710045543250371
Energy: 1.1946205984059093
Energy: 1.171004554326234
Energy: 1.1946205984051115
Energy: 1.1277908267393475
Energy: 1.4713094646557265
Energy: 1.1277908267385495
Energy: 1.4713094646561256
Energy: 1.1277908267401455
Energy: 1.4713094646569236
Energy: 1.5141055555538112
Energy: 1.2567906140874532
Energy: 1.51410555555421
Energy: 1.2567906140870542
Energy: 1.514105555553412
Energy: 1.2567906140870542
Energy: 1.127955595430082
Energy: 1.4712092219649
Energy: 1.1279555954308798
Energy: 1.4712092219645008
Energy: 1.1279555954312788
Energy: 1.4712092219637027
Energy: 1.171432680505639
Energy: 1.194278928040804
Energy: 1.1714326805076338
Energy: 1.194278928040006
Energy: 1.1714326805084319
Energy: 1.1942789280388089
Energy: 1.5923441909276739
Energy: 1.53440063880281
Energy: 1.5923441909276739
Energy: 1.5344006388008147
Energy: 1.5923441909268758
Energy: 1.5344006388024107
Energy: 1.424364358186114
Energy: 1.3491324910282236
Energy: 1.4243643581869119
Energy: 1.3491324910262288
Energy: 1.4243643581897047
Energy: 1.3491324910270268
Energy: 1.157615480920576
Energy: 1.2919899330147888
Energy: 1.1576154809221721
Energy: 1.2919899330139908
Energy: 1.1576154809213741
Energy: 1.2919899330139908
Energy: 1.362528828706131
Energy: 1.3124590816484778
Energy: 1.362528828706929
Energy: 1.3124590816496746
Energy: 1.362528828706131
Energy: 1.3124590816492758
Energy: 1.189704933305277
Energy: 1.140120979313075
Energy: 1.1897049333247913
Energy: 1.1401209793099196
Energy: 1.18970493330009
Energy: 1.1401209793059297
Energy: 1.1490190518971215
Energy: 1.1772227672442481
Energy: 1.1490190518975205
Energy: 1.177222767243051
Energy: 1.1490190518971215
Energy: 1.177222767243849
Energy: 1.1709336212444899
Energy: 1.150217169763892
Energy: 1.1709336212448889
Energy: 1.1502171697646901
Energy: 1.1709336212432933
Energy: 1.150217169765089
Energy: 1.2944640706852646
Energy: 1.601603126066904
Energy: 1.2944640706852646
Energy: 1.601603126069298
Energy: 1.2944640706844666
Energy: 1.60160312606451
Energy: 1.7105824764501194
Energy: 1.3967981639465659
Energy: 1.7105824764465285
Energy: 1.3967981639465659
Energy: 1.7105824764449324
Energy: 1.3967981639469649
Energy: 1.1317245211036238
Energy: 1.4920712546864454
Energy: 1.1317245211028257
Energy: 1.4920712546860464
Energy: 1.1317245211028257
Energy: 1.4920712546864454
Energy: 1.1603464536093242
Energy: 1.2941396016629623
Energy: 1.1603464536077284
Energy: 1.2941396016625633
Energy: 1.1603464536069303
Energy: 1.2941396016641593
Energy: 1.412131798085059
Energy: 1.1825870065065267
Energy: 1.412131798083064
Energy: 1.1825870064937587
Energy: 1.412131798084261
Energy: 1.1825870064925619
Energy: 1.2949343652401182
Energy: 1.1982964962028717
Energy: 1.2949343652397194
Energy: 1.1982964962000788
Energy: 1.2949343652389214
Energy: 1.1982964962008766
Energy: 1.1699324318986788
Energy: 1.1440188307641677
Energy: 1.1699324318998756
Energy: 1.1440188307633696
Energy: 1.1699324318986788
Energy: 1.1440188307609758
Energy: 1.1469540751884004
Energy: 1.6621003719457175
Energy: 1.1469540751915925
Energy: 1.6621003719409295
Energy: 1.146954075197976
Energy: 1.6621003719457175
Energy: 1.7510820336375097
Energy: 1.1285689070871383
Energy: 1.7510820336371105
Energy: 1.1285689070895324
Energy: 1.7510820336387065
Energy: 1.1285689070887344
Energy: 1.5276465218090232
Energy: 1.1776561034688484
Energy: 1.5276465218090232
Energy: 1.1776561034680506
Energy: 1.5276465218082251
Energy: 1.1776561034684496
Energy: 1.7511188309010122
Energy: 1.3291236330966496
Energy: 1.7511188309022092
Energy: 1.3291236330970486
Energy: 1.7511188309018102
Energy: 1.3291236330958518
Energy: 1.1473938298403719
Energy: 1.6620499982520942
Energy: 1.1473938298555333
Energy: 1.6620499982524932
Energy: 1.1473938298447606
Energy: 1.6620499982540893
Energy: 1.169981418171451
Energy: 1.145149223709419
Energy: 1.1699814181730468
Energy: 1.145149223708621
Energy: 1.16998141817185
Energy: 1.1451492237106158
Energy: 1.2950774700740564
Energy: 1.1988058920911435
Energy: 1.2950774700736574
Energy: 1.1988058920903455
Energy: 1.2950774700736574
Energy: 1.198805892086791

minimum gb energy = 1.1277908267385495 eV
minimum distance =  2.36103048974382 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 0.5940712124807527
Energy: 0.604166118488202
Energy: 0.5940712124798444
Energy: 0.6041661184918349
Energy: 0.5940712124807527
Energy: 0.604166118488202
Energy: 0.7030424101242366
Energy: 0.6042040783963796
Energy: 0.7030424101233285
Energy: 0.6042040783963796
Energy: 0.7030424101224202
Energy: 0.6042040783972878
Energy: 0.6439995214890206
Energy: 0.6950654335156842
Energy: 0.6439995214881125
Energy: 0.6950654335156842
Energy: 0.6439995214890206
Energy: 0.6950654335156842
Energy: 0.6063573285834516
Energy: 0.5936719525777555
Energy: 0.6063573285834516
Energy: 0.5936719525795721
Energy: 0.6063573285816352
Energy: 0.5936719525786638
Energy: 0.7033289263789083
Energy: 0.7060562970530961
Energy: 0.7033289263825414
Energy: 0.7060562970567291
Energy: 0.7033289263770919
Energy: 0.7060562970567291
Energy: 0.5938661884461275
Energy: 0.6451647169724919
Energy: 0.5938661884470358
Energy: 0.6451647169724919
Energy: 0.5938661884470358
Energy: 0.6451647169724919
Energy: 0.5940218199556727
Energy: 0.6451848989614728
Energy: 0.594021819956581
Energy: 0.6451848989614728
Energy: 0.5940218199556727
Energy: 0.6451848989614728
Energy: 0.7060261559826589
Energy: 0.7063451468909555
Energy: 0.7060261559808423
Energy: 0.7063451468909555
Energy: 0.7060261559817506
Energy: 0.7063451468900473
Energy: 0.6063494340979705
Energy: 0.5936996482615514
Energy: 0.6063494340988786
Energy: 0.5936996482606431
Energy: 0.6063494340988786
Energy: 0.5936996482606431
Energy: 0.6436488889238317
Energy: 0.6950413489048097
Energy: 0.6436488889238317
Energy: 0.695041348905718
Energy: 0.6436488889229234
Energy: 0.695041348905718
Energy: 0.703011031470955
Energy: 0.7520763484635363
Energy: 0.7030110314718632
Energy: 0.7520763484644447
Energy: 0.703011031470955
Energy: 0.7520763484608117
Energy: 0.5940712124807527
Energy: 0.6041661184900183
Energy: 0.5940712124807527
Energy: 0.6041661184936514
Energy: 0.5940712124807527
Energy: 0.6041661184872937
Energy: 0.7030424101224202
Energy: 0.6042040784000127
Energy: 0.7030424101233285
Energy: 0.6042040783972878
Energy: 0.7030424101224202
Energy: 0.6042040783972878
Energy: 0.6439995214890206
Energy: 0.6950654335165926
Energy: 0.6439995214881125
Energy: 0.6950654335165926
Energy: 0.6439995214890206
Energy: 0.6950654335156842
Energy: 0.6063573285843599
Energy: 0.5936719525777555
Energy: 0.6063573285843599
Energy: 0.5936719525768472
Energy: 0.6063573285834516
Energy: 0.5936719525777555
Energy: 0.703328926378
Energy: 0.706056297055821
Energy: 0.703328926378
Energy: 0.706056297055821
Energy: 0.7033289263798166
Energy: 0.7060562970567291
Energy: 0.5938661884470358
Energy: 0.6451647169724919
Energy: 0.5938661884470358
Energy: 0.6451647169715837
Energy: 0.5938661884470358
Energy: 0.6451647169724919
Energy: 0.5940218199556727
Energy: 0.6451848989614728
Energy: 0.5940218199556727
Energy: 0.6451848989614728
Energy: 0.594021819956581
Energy: 0.6451848989614728
Energy: 0.7060261559817506
Energy: 0.7063451468900473
Energy: 0.7060261559817506
Energy: 0.7063451468891391
Energy: 0.7060261559817506
Energy: 0.7063451468900473

minimum gb energy = 0.5936719525768472 eV
minimum distance =  2.48608264424102 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 1.2490017040831973
Energy: 1.1481124433134795
Energy: 1.2490017040831973
Energy: 1.1481124433134795
Energy: 1.2490017040838628
Energy: 1.1481124433128143
Energy: 1.3841057710210312
Energy: 1.1176574345862351
Energy: 1.3841057710216966
Energy: 1.1176574345862351
Energy: 1.3841057710203661
Energy: 1.1176574345862351
Energy: 1.343048646331792
Energy: 1.5953008542897706
Energy: 1.3430486463324574
Energy: 1.5953008542897706
Energy: 1.3430486463337878
Energy: 1.5953008542897706
Energy: 1.4310908021812734
Energy: 1.0584099514613063
Energy: 1.4310908021812734
Energy: 1.058409951453988
Energy: 1.4310908021852653
Energy: 1.0584099514652983
Energy: 1.1277292113450523
Energy: 0.8638328424539978
Energy: 1.1277292113463828
Energy: 0.8638328424546631
Energy: 1.1277292113430566
Energy: 0.8638328424573244
Energy: 1.2048618308182903
Energy: 1.224584464419029
Energy: 1.2048618308169596
Energy: 1.2245844644203596
Energy: 1.2048618308182903
Energy: 1.224584464419029
Energy: 0.9745706430235911
Energy: 1.3964725659176571
Energy: 0.9745706430242564
Energy: 1.3964725659176571
Energy: 0.9745706430242564
Energy: 1.3964725659176571
Energy: 1.3385544924833088
Energy: 0.8425029225406179
Energy: 1.3385544924826436
Energy: 0.842502922549267
Energy: 1.3385544924833088
Energy: 0.8425029225479364
Energy: 1.2844189785188334
Energy: 0.8431845231617615
Energy: 1.2844189785188334
Energy: 0.8431845231617615
Energy: 1.2844189785194988
Energy: 0.8431845231597657
Energy: 0.8698920972760231
Energy: 1.4116297659511552
Energy: 0.8698920951466151
Energy: 1.411629765946498
Energy: 0.8698920950601856
Energy: 1.4116297659471633
Energy: 1.4911333491317762
Energy: 1.3886292184763922
Energy: 1.4911333491304455
Energy: 1.3886292184770574
Energy: 1.4911333491297805
Energy: 1.3886292184770574
Energy: 1.1790046193258858
Energy: 0.9522235101789294
Energy: 1.1790046193265513
Energy: 0.9522235101769336
Energy: 1.1790046193258858
Energy: 0.9522235101769336
Energy: 1.1549896017179722
Energy: 1.115705332826716
Energy: 1.1549896017166414
Energy: 1.1157053328140751
Energy: 1.1549896017186374
Energy: 1.1157053328273812
Energy: 1.3348951390303911
Energy: 1.631954656228502
Energy: 1.3348951390317219
Energy: 1.6319546562271714
Energy: 1.3348951390317219
Energy: 1.6319546562271714
Energy: 1.3981599392662152
Energy: 1.1160557221767435
Energy: 1.3981599392668804
Energy: 1.116055722176078
Energy: 1.3981599392662152
Energy: 1.116055722176078
Energy: 1.2505616673673228
Energy: 1.1491150864944712
Energy: 1.2505616673686533
Energy: 1.1491150864938058
Energy: 1.250561667367988
Energy: 1.1491150864951365
Energy: 0.9991513793008149
Energy: 1.111425111465916
Energy: 0.9991513793600273
Energy: 1.1114251114665816
Energy: 0.9991513792735373
Energy: 1.111425111465916
Energy: 1.4849553608149502
Energy: 1.4399918694431881
Energy: 1.4849553608149502
Energy: 1.4399918694445188
Energy: 1.4849553608162807
Energy: 1.4399918694445188
Energy: 1.3759970036340106
Energy: 1.062293986104971
Energy: 1.3759970036333455
Energy: 1.062293986116281
Energy: 1.3759970036353413
Energy: 1.0622939860976526
Energy: 1.133420873066993
Energy: 1.0155732229541525
Energy: 1.133420873066993
Energy: 1.0155732229541525
Energy: 1.133420873066993
Energy: 1.0155732229541525
Energy: 1.0110509355526027
Energy: 1.268648258352627
Energy: 1.011050935550607
Energy: 1.2686482583519618
Energy: 1.0110509355526027
Energy: 1.268648258352627
Energy: 1.3668881781519848
Energy: 1.4136551534591053
Energy: 1.3668881781526503
Energy: 1.4136551534611013
Energy: 1.366888178154646
Energy: 1.41365515345844
Energy: 1.2941346239265745
Energy: 1.200123542426209
Energy: 1.2941346239259093
Energy: 1.2001235424255436
Energy: 1.29413462392724
Energy: 1.2001235424255436
Energy: 1.1503135941831804
Energy: 0.9946433024140323
Energy: 1.1503135941845108
Energy: 0.9946433024133672
Energy: 1.1503135941845108
Energy: 0.994643302415363
Energy: 1.0123383329881
Energy: 1.3851446225284358
Energy: 1.012338332987435
Energy: 1.3851446225350887
Energy: 1.012338332987435
Energy: 1.3851446225330928
Energy: 1.7611792948881326
Energy: 1.39298689020824
Energy: 1.7611792948887979
Energy: 1.39298689020824
Energy: 1.7611792948894636
Energy: 1.3929868902069094

minimum gb energy = 0.8425029225406179 eV
minimum distance =  2.38069078370889 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 1.4810574362996192
Energy: 1.0957589864767991
Energy: 1.4810574363001434
Energy: 1.0957589864783726
Energy: 1.4810574363001434
Energy: 1.0957589864778479
Energy: 1.4479796386182515
Energy: 1.301520288681322
Energy: 1.4479796386193005
Energy: 1.301520288681322
Energy: 1.447979638618776
Energy: 1.301520288681322
Energy: 1.6131623060954305
Energy: 1.7732377090401032
Energy: 1.613162306094382
Energy: 1.7732377090395788
Energy: 1.6131623060954305
Energy: 1.7732377090395788
Energy: 1.2152536674688827
Energy: 1.0792392077347037
Energy: 1.215253667470456
Energy: 1.0792392077337025
Energy: 1.2152536674709804
Energy: 1.0792392077357524
Energy: 0.983989811271287
Energy: 1.1572201527165702
Energy: 0.9839898112718116
Energy: 1.1572201527165702
Energy: 0.9839898112707628
Energy: 1.1572201527160457
Energy: 1.431729757907209
Energy: 1.4616656307520721
Energy: 1.431729757908782
Energy: 1.4616656307531208
Energy: 1.4317297579103552
Energy: 1.461665630754694
Energy: 0.8925851748284054
Energy: 1.7262935957840648
Energy: 0.8925851748278809
Energy: 1.7262935957845895
Energy: 0.8925851748221127
Energy: 1.726293595788784
Energy: 1.0066534043252056
Energy: 1.0107808806887741
Energy: 1.006653404324157
Energy: 1.010780880691396
Energy: 1.0066534043252056
Energy: 1.0107808806861522
Energy: 0.9178987023388222
Energy: 1.2215061315900957
Energy: 0.9178987023424928
Energy: 1.2215061315906202
Energy: 0.9178987023477365
Energy: 1.2215061315895712
Energy: 1.211754510980957
Energy: 1.596670316972113
Energy: 1.2117545109788597
Energy: 1.5966703169726375
Energy: 1.2117545109778107
Energy: 1.596670316972113
Energy: 1.212538930799364
Energy: 1.644134330623572
Energy: 1.2125389307946448
Energy: 1.6441343306230478
Energy: 1.212538930795169
Energy: 1.6441343306246208
Energy: 1.1018637243702536
Energy: 1.2032638988962736
Energy: 1.1018637243749732
Energy: 1.2032638988878837
Energy: 1.1018637243749732
Energy: 1.2032638988983713
Energy: 1.1151473545348949
Energy: 1.084694574882148
Energy: 1.1151473545343706
Energy: 1.0846945748826722
Energy: 1.1151473545354194
Energy: 1.0846945748831964
Energy: 0.9484244527180765
Energy: 1.6511090124659489
Energy: 0.9484244527186009
Energy: 1.651109012466473
Energy: 0.9484244527175522
Energy: 1.6511090124680463
Energy: 1.4339134030309715
Energy: 1.4710088374993802
Energy: 1.4339134030351666
Energy: 1.4710088375004289
Energy: 1.4339134030314962
Energy: 1.4710088374988557
Energy: 0.8985514850930596
Energy: 1.2317437661148245
Energy: 0.8985514850935838
Energy: 1.231743766115349
Energy: 0.8985514850930596
Energy: 1.231743766115349
Energy: 1.0571626026274332
Energy: 1.084431556818001
Energy: 1.0571626026295307
Energy: 1.0844315568195741
Energy: 1.0571626026263845
Energy: 1.08443155681905
Energy: 1.3581054516294286
Energy: 1.7524405957827538
Energy: 1.3581054516294286
Energy: 1.752440595780132
Energy: 1.3581054516294286
Energy: 1.7524405957843268
Energy: 1.4470642889835927
Energy: 1.299619400758939
Energy: 1.447064288976776
Energy: 1.29961940075789
Energy: 1.4470642889814953
Energy: 1.299619400758939
Energy: 1.3577578316435934
Energy: 1.4620088181085655
Energy: 1.3577578316446421
Energy: 1.2126017611283664
Energy: 1.3577578316451668
Energy: 1.2126017611294153
Energy: 1.1259101124375868
Energy: 1.345716179249602
Energy: 1.1259101124370625
Energy: 1.3457161792501262
Energy: 1.1259101124375868
Energy: 1.3457161792501262
Energy: 1.6413493535916428
Energy: 1.818067955506307
Energy: 1.6413493535911183
Energy: 1.818067955506307
Energy: 1.6413493535911183
Energy: 1.8180679555057826
Energy: 1.214273078652059
Energy: 1.0793070467075325
Energy: 1.214273078654681
Energy: 1.0793070467085812
Energy: 1.2142730786531077
Energy: 1.0793070467085812
Energy: 0.9079997793453285
Energy: 1.4850167246508474
Energy: 0.9079997793437555
Energy: 1.2947348648460602
Energy: 0.9079997793442799
Energy: 1.2947348648450112
Energy: 0.8984756187335212
Energy: 1.554745024643155
Energy: 0.8984756187319481
Energy: 1.5547450246415817
Energy: 0.89847561873457
Energy: 1.5547450246415817
Energy: 1.0660804756273974
Energy: 0.8938376914690039
Energy: 1.0660804756237265
Energy: 0.893837691467955
Energy: 1.0660804756211046
Energy: 1.07859924523907
Energy: 0.8985728771312953
Energy: 1.0790855276600881
Energy: 0.898572877132344
Energy: 1.079085527647503
Energy: 0.8985728771328684
Energy: 1.0790855276752949
Energy: 1.0382602640574046
Energy: 1.4270316059833663
Energy: 1.0382602640568803
Energy: 1.347382633936393
Energy: 1.0382602640574046
Energy: 1.347382633936393
Energy: 1.3077852015723028
Energy: 1.3458226002335538
Energy: 1.3077852015717786
Energy: 1.3458226002330294
Energy: 1.3077852015733515
Energy: 1.3458226002330294
Energy: 1.7481972189218318
Energy: 0.9781288103484518
Energy: 1.748197218922356
Energy: 0.9781288103484518
Energy: 1.7481972189218318
Energy: 0.978128810347403
Energy: 1.0906622927613
Energy: 1.1978811836496823
Energy: 1.0906622927597267
Energy: 1.197881183650731
Energy: 1.090662292758678
Energy: 1.197881183650731
Energy: 1.0669937339860571
Energy: 0.9709576451140742
Energy: 1.0669937339860571
Energy: 0.9709576451140742
Energy: 1.0669937339865816
Energy: 0.9709576451145988
Energy: 0.8734460870830667
Energy: 1.146685933947538
Energy: 0.8734460870830667
Energy: 1.1466859339459645
Energy: 0.8734460870814937
Energy: 1.1466859339496354

minimum gb energy = 0.8734460870814937 eV
minimum distance =  2.40928296463152 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 1.1927745622823183
Energy: 0.9797565189047166
Energy: 1.1927745622808463
Energy: 0.979756518904315
Energy: 1.1927745622815822
Energy: 0.9797565189065232
Energy: 1.7643868522612787
Energy: 0.8948175610557948
Energy: 1.7643868522616801
Energy: 0.8948175610553933
Energy: 1.7643868522638881
Energy: 0.8948175610546573
Energy: 1.5088849145051486
Energy: 1.972970959600457
Energy: 1.5088849145022047
Energy: 1.9729709595986502
Energy: 1.5088849145047474
Energy: 1.9729709596001224
Energy: 1.2687405861394199
Energy: 0.953135175553125
Energy: 1.2687405861346024
Energy: 0.9531351755534596
Energy: 1.2687405861368102
Energy: 0.9531351755406126
Energy: 0.975755646695024
Energy: 1.600542996916846
Energy: 0.9757556466932176
Energy: 1.600542996917917
Energy: 0.9757556466932176
Energy: 1.6005429969175824
Energy: 1.964695293528003
Energy: 1.126851880014852
Energy: 1.9646952935283377
Energy: 1.126851880004949
Energy: 1.9646952935276019
Energy: 1.1268518800130451
Energy: 0.9001898271930864
Energy: 1.3625030766651736
Energy: 0.9001898271912797
Energy: 1.362503076662564
Energy: 0.9001898271901422
Energy: 1.3625030766607573
Energy: 1.2770679911541303
Energy: 1.2397479160867675
Energy: 1.277067991155201
Energy: 1.23974791608563
Energy: 1.277067991155201
Energy: 1.2397479160871019
Energy: 1.5946274891896512
Energy: 1.2431774909638849
Energy: 1.5946274891921939
Energy: 1.2431774909642197
Energy: 1.5946274891907222
Energy: 1.2431774909638849
Energy: 1.977361796814985
Energy: 0.933090901980832
Energy: 1.9773617968153197
Energy: 0.9330909019797614
Energy: 1.977361796814985
Energy: 0.9330909019793601
Energy: 1.180233979883506
Energy: 1.3250471499063714
Energy: 1.1802339798846435
Energy: 1.3250471499078433
Energy: 1.1802339798842418
Energy: 1.3250471499178134
Energy: 1.8996544801257131
Energy: 1.0370082240056342
Energy: 1.8996544801261144
Energy: 1.0370082239927874
Energy: 1.8996544801261144
Energy: 1.0370082239887057
Energy: 1.266455517278937
Energy: 1.5907929832034207
Energy: 1.2664555172793384
Energy: 1.590792983203086
Energy: 1.266455517278937
Energy: 1.590792983203086
Energy: 0.9551425946937413
Energy: 1.2102279494683073
Energy: 0.9551425946885892
Energy: 1.2102279494620847
Energy: 0.9551425946896598
Energy: 1.2102279494503083
Energy: 0.9477241373847691
Energy: 1.1171389002057501
Energy: 0.9477241373865759
Energy: 1.117138900203542
Energy: 0.9477241373865759
Energy: 1.1171389002057501
Energy: 0.9874041445791782
Energy: 1.4250512542373157
Energy: 0.9874041445758327
Energy: 1.425051254236245
Energy: 0.9874041445802488
Energy: 1.4250512542373157
Energy: 1.6074226174156518
Energy: 1.0595961409010206
Energy: 1.6074226174156518
Energy: 1.059596140899883
Energy: 1.6074226174156518
Energy: 1.0595961408995485
Energy: 0.909334662794462
Energy: 1.16908958139909
Energy: 0.9093346627941274
Energy: 1.1690895813891204
Energy: 0.9093346627948635
Energy: 1.1690895813887858
Energy: 1.9745709305569268
Energy: 1.2747193982051148
Energy: 1.9745709305579975
Energy: 1.2747193982006986
Energy: 1.9745709305579975
Energy: 1.274719398215419
Energy: 1.6001408526148577
Energy: 1.2438953725372726
Energy: 1.6001408526159955
Energy: 1.2438953725368709
Energy: 1.6001408526152592
Energy: 1.2438953725358004
Energy: 0.9585382329214
Energy: 1.1932975918525695
Energy: 0.958538232922872
Energy: 1.1932975918529707
Energy: 0.9585382329258161
Energy: 1.1932975918533053
Energy: 0.8930816702367311
Energy: 1.7647425583922618
Energy: 0.8930816702355936
Energy: 1.7647425583907896
Energy: 0.8930816702367311
Energy: 1.7647425583919274
Energy: 1.5598304243593875
Energy: 1.4932575532419006
Energy: 1.5598304243638037
Energy: 1.493257553242235
Energy: 1.5598304243630676
Energy: 1.4932575532419006
Energy: 1.140036677434724
Energy: 1.4124940057942226
Energy: 1.1400366774329174
Energy: 1.412494005794557
Energy: 1.1400366774343893
Energy: 1.4124940057956945
Energy: 1.5865793738432263
Energy: 1.0551619452751257
Energy: 1.5865793738432263
Energy: 1.055161945274055
Energy: 1.5865793738428915
Energy: 1.05516194527439
Energy: 1.2006506302205746
Energy: 1.9665940005108922
Energy: 1.200650630220909
Energy: 1.9665940005123643
Energy: 1.200650630222381
Energy: 1.96659400051203
Energy: 1.7674242728384304
Energy: 0.9108400383013786
Energy: 1.7674242728388323
Energy: 0.9108400383009769
Energy: 1.767424272839167
Energy: 0.9108400383009769
Energy: 1.195722592438417
Energy: 1.1484356534568994
Energy: 1.1957225924395545
Energy: 1.1484356534568994
Energy: 1.1957225924388184
Energy: 1.1484356534554272
Energy: 1.2416651820996807
Energy: 1.5904568996511346
Energy: 1.2416651820985432
Energy: 1.5904568996511346
Energy: 1.2416651820985432
Energy: 1.5904568996522723
Energy: 0.9237632744989258
Energy: 1.981257968554146
Energy: 0.9237632744952454
Energy: 1.9812579685552834
Energy: 0.9237632745088955
Energy: 1.9812579685552834
Energy: 1.1663221421923196
Energy: 1.0217927676681657
Energy: 1.166322142192654
Energy: 1.0217927676685672
Energy: 1.1663221421933903
Energy: 1.0217927676623444
Energy: 1.1408643604962982
Energy: 1.6065810885951783
Energy: 1.1408643604952278
Energy: 1.606581088595513
Energy: 1.1408643604959638
Energy: 1.6065810885951783
Energy: 1.6014756643412105
Energy: 1.268347793827265
Energy: 1.6014756643408088
Energy: 1.268347793828001
Energy: 1.6014756643419463
Energy: 1.2683477938276664
Energy: 1.1739407647075952
Energy: 0.950962426423531
Energy: 1.1739407647146207
Energy: 0.9509624264201854
Energy: 1.173940764706123
Energy: 0.9509624264338353
Energy: 1.1757273431162958
Energy: 0.9510390053701737
Energy: 1.1757273431155597
Energy: 0.9510390053697723
Energy: 1.1757273431152253
Energy: 0.951039005377534
Energy: 1.5995301350418838
Energy: 1.1311810314741917
Energy: 1.5995301350418838
Energy: 1.131181031471984
Energy: 1.5995301350422182
Energy: 1.1311810314715822
Energy: 1.057404217930566
Energy: 1.6047903920662487
Energy: 1.05740421792983
Energy: 1.6047903920665834
Energy: 1.0574042179294285
Energy: 1.6047903920665834
Energy: 1.1665477360976357
Energy: 1.0214959237356966
Energy: 1.1665477360983716
Energy: 1.0214959237371686
Energy: 1.1665477360980372
Energy: 1.0214959237379049
Energy: 0.925338080299649
Energy: 1.9812085355414797
Energy: 0.9253380802985784
Energy: 1.9812085355407438
Energy: 0.9253380802993145
Energy: 1.9812085355414797
Energy: 1.2417879848820914
Energy: 1.5904445906708173
Energy: 1.2417879848813556
Energy: 1.5904445906719546
Energy: 1.241787984882493
Energy: 1.5904445906715534
Energy: 1.1943855686449512
Energy: 1.1481917555862957
Energy: 1.1943855686456872
Energy: 1.1481917555866974
Energy: 1.1943855686446165
Energy: 1.1481917555855599
Energy: 1.7674689535553714
Energy: 0.9108067286554632
Energy: 1.7674689535543011
Energy: 0.9108067286510471
Energy: 1.7674689535546355
Energy: 0.9108067286532552
Energy: 1.2003279947695573
Energy: 1.9669005150358145
Energy: 1.200327994762933
Energy: 1.9669005150365508
Energy: 1.2003279947632675
Energy: 1.9669005150358145
Energy: 1.5863911178907801
Energy: 1.0551584805917429
Energy: 1.586391117890044
Energy: 1.0551584805910068
Energy: 1.5863911178907801
Energy: 1.0551584805898693
Energy: 1.059120994908183
Energy: 1.4126176808080186
Energy: 1.0591209949022948
Energy: 1.4126176808090891
Energy: 1.059120994907447
Energy: 1.4126176808080186
Energy: 1.5596262618736938
Energy: 1.4935507009592826
Energy: 1.559626261892496
Energy: 1.4935507009592826
Energy: 1.5596262618781103
Energy: 1.4935507009592826
Energy: 0.8931307536000095
Energy: 1.764741109538651
Energy: 0.8931307535989389
Energy: 1.7647411095397885
Energy: 0.8931307535985374
Energy: 1.764741109539387

minimum gb energy = 0.8930816702355936 eV
minimum distance =  2.40000272478809 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 1.2620143114839855
Energy: 0.9398914645323819
Energy: 1.2620143114844884
Energy: 0.9398914645328849
Energy: 1.2620143114842368
Energy: 0.9398914645331364
Energy: 1.218319144895316
Energy: 0.9210092182640724
Energy: 1.2183191448960429
Energy: 0.9210092182640724
Energy: 1.2183191448955677
Energy: 0.921009218264324
Energy: 1.9448959275412552
Energy: 2.244019551054597
Energy: 2.0350146108945277
Energy: 2.2440195510538423
Energy: 2.0350146108930467
Energy: 2.244019551054345
Energy: 1.2182929331498438
Energy: 0.9210667427692196
Energy: 1.218292933149117
Energy: 0.921066742768968
Energy: 1.2182929331498438
Energy: 0.9210667427692196
Energy: 1.2620143114844884
Energy: 0.9398914645323819
Energy: 1.2620143114837616
Energy: 0.9398914645331364
Energy: 1.2620143114844884
Energy: 0.9398914645331364
Energy: 1.218319144895316
Energy: 0.921009218264324
Energy: 1.2183191448960429
Energy: 0.9210092182640724
Energy: 1.218319144895316
Energy: 0.9210092182638209
Energy: 1.2192049372706817
Energy: 2.244019551054094
Energy: 1.2192049372726663
Energy: 2.244019551054597
Energy: 1.944895927541004
Energy: 2.2440195510538423

minimum gb energy = 0.9210092182638209 eV
minimum distance =  2.49942297633285 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 1.6358500081083756
Energy: 1.3401080691214806
Energy: 1.6358500081050287
Energy: 1.3401080691281746
Energy: 1.6358500081050287
Energy: 1.3401080691315217
Energy: 1.5238210874891287
Energy: 1.3206457531230469
Energy: 1.5238210874924756
Energy: 1.3206457531230469
Energy: 1.5238210874891287
Energy: 1.3206457531230469
Energy: 1.1160571616614114
Energy: 1.7350675806916007
Energy: 1.1160571616614114
Energy: 1.7350675806916007
Energy: 1.1160571616614114
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Energy: 1.6735792684995665
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Energy: 1.6372822840097443
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Energy: 1.6372822839997034
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Energy: 1.0976574254651488
Energy: 1.6729005359314302
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Energy: 1.6729005359180424
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Energy: 1.6729005359347773
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Energy: 1.636376839969471
Energy: 1.4579497305548386
Energy: 1.636376839969471
Energy: 1.4579497305514915
Energy: 1.636376839969471
Energy: 1.4334239173649033
Energy: 1.5020253462612514
Energy: 1.4334239173615564
Energy: 1.5020253462579045
Energy: 1.4334239173649033
Energy: 1.5020253462612514
Energy: 1.7367728186346898
Energy: 1.225186534453177
Energy: 1.7367728186346898
Energy: 1.225186534453177
Energy: 1.736772818638037
Energy: 1.225186534453177
Energy: 1.222844799100759
Energy: 1.6495884359494088
Energy: 1.222844799100759
Energy: 1.6495884359527562
Energy: 1.222844799100759
Energy: 1.6495884359527562
Energy: 1.4764661920798225
Energy: 1.405737896525041
Energy: 1.4764661920798225
Energy: 1.4057378965216942
Energy: 1.4764661920798225
Energy: 1.405737896525041
Energy: 1.585145067326421
Energy: 1.3982608551180915
Energy: 1.5851450673297676
Energy: 1.3982608551415205
Energy: 1.585145067326421
Energy: 1.3982608551214386
Energy: 1.5611781133390223
Energy: 1.3370558649871103
Energy: 1.5611781133189402
Energy: 1.3370558649837632
Energy: 1.5611781133457163
Energy: 1.3370558649837632
Energy: 1.2359190409365386
Energy: 1.5546246242104385
Energy: 1.2359190409365386
Energy: 1.5546246242104385
Energy: 1.2359190409365386
Energy: 1.5546246242104385
Energy: 1.4716965641504516
Energy: 1.2676136454116047
Energy: 1.4716965641537987
Energy: 1.2676136454116047
Energy: 1.4716965641504516
Energy: 1.267613645455116
Energy: 1.3918440877122833
Energy: 1.284347484202969
Energy: 1.3918440877189773
Energy: 1.2843474842063158
Energy: 1.3918440877189773
Energy: 1.284347484202969
Energy: 1.4852095955838687
Energy: 1.6709592321618338
Energy: 1.4852095955570925
Energy: 1.6709592321618338
Energy: 1.4852095955738274
Energy: 1.6709592321618338
Energy: 1.4297613377650322
Energy: 1.637674855010928
Energy: 1.4297613377650322
Energy: 1.6376748550075808
Energy: 1.4297613377650322
Energy: 1.6376748550075808

minimum gb energy = 1.0976574254651488 eV
minimum distance =  2.32777454923675 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 1.3499675412983285
Energy: 1.1834513340976565
Energy: 1.2474212836689436
Energy: 1.183451334100413
Energy: 1.349967541298788
Energy: 1.1834513340999533
Energy: 1.2584266641117448
Energy: 1.4794978962175775
Energy: 1.2584266641126636
Energy: 1.4794978962175775
Energy: 1.2584266641122042
Energy: 1.4794978962189553
Energy: 1.4258132200888243
Energy: 1.436393683715958
Energy: 1.4267424428665458
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Energy: 1.4258132200883649
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Energy: 1.337996398249768
Energy: 1.8446782167042772
Energy: 1.3379963982502274
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Energy: 1.4299657432338675
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Energy: 1.3035911845290453
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Energy: 1.303591184529463
Energy: 1.5482799690763147
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Energy: 1.4104039653043832
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Energy: 1.4104039653039238
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Energy: 1.5312684811420059
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Energy: 1.3747341652714018
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Energy: 1.5404703929402894
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Energy: 1.5404703929407488
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Energy: 1.2085501250564605
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Energy: 1.308175140830558
Energy: 1.2085501250587574
Energy: 1.3081751408310174
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Energy: 1.5652871756221185
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Energy: 1.3832457567155971
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Energy: 1.6534628480219948
Energy: 1.689084318228221
Energy: 1.6327528707458678
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Energy: 1.6534628480229134
Energy: 1.6890843182286803
Energy: 1.7026063664462372
Energy: 1.593645751605783
Energy: 1.6321480517756224
Energy: 1.5936457516062423
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Energy: 1.4773980517785437
Energy: 1.4177135703794814
Energy: 1.4773980517780847
Energy: 1.417713570379022
Energy: 1.539489286412433
Energy: 1.5185912379293303
Energy: 1.5394892864119736
Energy: 1.5185912379293303
Energy: 1.5394892864115144
Energy: 1.518591237928871
Energy: 1.4102831976629846
Energy: 1.4315377508843752
Energy: 1.4102831976625252
Energy: 1.431537750885294
Energy: 1.4102831976629846
Energy: 1.431537750885294
Energy: 0.931631015096617
Energy: 1.2945012639321631
Energy: 0.9316310150961576
Energy: 1.2945012639307851
Energy: 0.9316310150961576
Energy: 1.294501263925732
Energy: 1.2993034192029085
Energy: 1.3079989935068599
Energy: 1.2993034192019897
Energy: 1.3079989935041036
Energy: 1.2993034192029085
Energy: 1.307998993504563
Energy: 1.3586663894132367
Energy: 1.2595506063103354
Energy: 1.3552354831592366
Energy: 1.2595506063103354
Energy: 1.358666389414615
Energy: 1.2595506063103354
Energy: 1.5271441847240026
Energy: 1.3198775301835377
Energy: 1.5271441847276779
Energy: 1.3198775301826189
Energy: 1.527144184726759
Energy: 1.3198775301835377
Energy: 1.5323497774078128
Energy: 1.5223444882014268
Energy: 1.5323497774082722
Energy: 1.522344488200508
Energy: 1.532349777410569
Energy: 1.5223444882014268
Energy: 1.2890172166901694
Energy: 1.487533925333214
Energy: 1.2890172166906289
Energy: 1.487533925333214
Energy: 1.2890172166906289
Energy: 1.4875339253327546
Energy: 1.3085448501993433
Energy: 1.1990214944438093
Energy: 1.3085448501993433
Energy: 1.1990214944438093
Energy: 1.3085448501993433
Energy: 1.199021494441053
Energy: 1.5445466564932917
Energy: 1.33278416492353
Energy: 1.5445466564928323
Energy: 1.3327841649230707
Energy: 1.5445466564932917
Energy: 1.3327841649239893
Energy: 1.2024539522504765
Energy: 1.6567466502408914
Energy: 1.202750277624575
Energy: 1.656746650239513
Energy: 1.2024539522490987
Energy: 1.656746650240432
Energy: 1.5315068779548677
Energy: 1.5329346223605778
Energy: 1.5315068779557863
Energy: 1.532934622359659
Energy: 1.5315068779567054
Energy: 1.532934622359659
Energy: 1.3573042675316986
Energy: 1.5194788071166365
Energy: 1.357304267532158
Energy: 1.5194788071143395
Energy: 1.3573042675312392
Energy: 1.5194788071161773
Energy: 1.5444363265162477
Energy: 1.5196088540674764
Energy: 1.5444363265157883
Energy: 1.5196088540679356
Energy: 1.5444363265157883
Energy: 1.5196088540674764

minimum gb energy = 0.9315811573887133 eV
minimum distance =  2.34630186819616 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 1.7871430421704675
Energy: 1.2276131429437351
Energy: 1.7871430421710321
Energy: 1.2276131430345547
Energy: 1.7871430421704675
Energy: 1.2276131424649117
Energy: 1.4415603974379643
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Energy: 1.4415603974362716
Energy: 1.2244415852782635
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Energy: 1.6898426556269588
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Energy: 1.5330749209904755
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Energy: 1.5651313847142516
Energy: 1.3614522436803906
Energy: 1.5651313847131227
Energy: 1.361452243679262
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Energy: 1.3760339290127868
Energy: 1.4240111935501096
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Energy: 1.4240111935506736
Energy: 1.37603392900717
Energy: 1.4240111935512378
Energy: 1.4700523971780775
Energy: 1.3812708138914576
Energy: 1.4700523971775132
Energy: 1.3812708138914576
Energy: 1.4700523971803343
Energy: 1.381270813892022
Energy: 1.7576383220632597
Energy: 1.327778971392241
Energy: 1.7576383220621312
Energy: 1.327778971418197
Energy: 1.7576383220621312
Energy: 1.3277789712980614
Energy: 1.7312786879865234
Energy: 1.3521320053275492
Energy: 1.7312786879865234
Energy: 1.3521320053275492
Energy: 1.7312786879859592
Energy: 1.3521320053275492
Energy: 1.5282637371803947
Energy: 1.4467478514797218
Energy: 1.5282637371798307
Energy: 1.4467478514797218
Energy: 1.5282637371798307
Energy: 1.4467478514797218
Energy: 1.4498923446210226
Energy: 1.5493029418796078
Energy: 1.4498923446215868
Energy: 1.5493029418790432
Energy: 1.4498923446227154
Energy: 1.5493029418801718
Energy: 1.5037749102081892
Energy: 1.204450414013696
Energy: 1.503774910207625
Energy: 1.204450414013696
Energy: 1.503774910207625
Energy: 1.204450414013696
Energy: 1.311287682776526
Energy: 1.544184790739022
Energy: 1.311287682776526
Energy: 1.5441847907373294
Energy: 1.3112876827759616
Energy: 1.5441847907384576
Energy: 1.545115348750273
Energy: 1.6234620504040544
Energy: 1.5451153487508371
Energy: 1.6234620504046187
Energy: 1.5451153487508371
Energy: 1.6234620504046187
Energy: 1.3023828173976337
Energy: 1.375413625229934
Energy: 1.3023828173965053
Energy: 1.375413625229934
Energy: 1.3023828174004553
Energy: 1.375413625229934
Energy: 1.7464174594439144
Energy: 1.365851275351094
Energy: 1.7464174594439144
Energy: 1.365851275351094
Energy: 1.7464174594433501
Energy: 1.3658512753516585
Energy: 1.2359062383126171
Energy: 1.395266382869653
Energy: 1.2359062383114887
Energy: 1.3952663828594962
Energy: 1.2359062383126171
Energy: 1.3952663828651388
Energy: 1.61886309822459
Energy: 1.3945076912592207
Energy: 1.61886309822459
Energy: 1.394507691259785
Energy: 1.6188630982251546
Energy: 1.3945076912586565
Energy: 1.4254943027816707
Energy: 1.346772323775091
Energy: 1.4254943027788494
Energy: 1.346772323775655
Energy: 1.425494302784492
Energy: 1.346772323775091
Energy: 1.6907714782054855
Energy: 1.717356726939187
Energy: 1.690771478204921
Energy: 1.7173567269403154
Energy: 1.690771478204921
Energy: 1.7173567269397512
Energy: 1.4063072613508492
Energy: 1.3989563794063422
Energy: 1.4063072613508492
Energy: 1.3989563791812805
Energy: 1.4063072613508492
Energy: 1.3989563793380928

minimum gb energy = 1.204450414013696 eV
minimum distance =  2.32801687038028 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 1.4932584796211048
Energy: 1.4054435445517577
Energy: 1.4932584796218353
Energy: 1.4054435445510274
Energy: 1.4932584796211048
Energy: 1.4054435445510274
Energy: 1.3578567528441219
Energy: 1.2391097853555553
Energy: 1.3578567528441219
Energy: 1.2391097853570163
Energy: 1.3578567528448526
Energy: 1.2391097853577469
Energy: 1.3234747718576403
Energy: 1.5817931530535139
Energy: 1.3234747718576403
Energy: 1.5817931530542444
Energy: 1.3234747718576403
Energy: 1.5817931530527831
Energy: 1.5536294395350319
Energy: 1.5048942691370142
Energy: 1.5536294395357626
Energy: 1.5048942691370142
Energy: 1.5536294395343013
Energy: 1.5048942691370142
Energy: 1.6047637946614142
Energy: 1.5093569586329934
Energy: 1.6047637946621447
Energy: 1.5093569586351852
Energy: 1.6047637946621447
Energy: 1.5093569586351852
Energy: 1.312398538616688
Energy: 1.3464339622716706
Energy: 1.3123985386159573
Energy: 1.3464339622716706
Energy: 1.312398538616688
Energy: 1.3464339622702093
Energy: 1.6552838675731956
Energy: 1.4270383115619238
Energy: 1.6552838675739263
Energy: 1.4270383115619238
Energy: 1.6552838675739263
Energy: 1.4270383115626546
Energy: 1.3511762497138147
Energy: 1.22795814154462
Energy: 1.351176249713084
Energy: 1.22795814154462
Energy: 1.3511762497116226
Energy: 1.22795814154462
Energy: 1.3237642662179172
Energy: 1.4400340965250042
Energy: 1.3237642662142644
Energy: 1.4400340965257348
Energy: 1.3237642662157254
Energy: 1.4400340965257348
Energy: 0.9691144213246191
Energy: 1.3328076068144308
Energy: 0.9691144213275416
Energy: 1.3328076068144308
Energy: 0.9691144213238886
Energy: 1.3328076068137003
Energy: 1.4304920412201505
Energy: 1.2578226961792374
Energy: 1.43049204121942
Energy: 1.2578226961806986
Energy: 1.4304920412201505
Energy: 1.2578226961858125
Energy: 1.4369086268303473
Energy: 1.4698636992999128
Energy: 1.4369086268303473
Energy: 1.4698636993021044
Energy: 1.4369086268303473
Energy: 1.469863699300643
Energy: 1.2681990210453915
Energy: 1.4365919842234964
Energy: 1.2681990210468528
Energy: 1.4365919842242272
Energy: 1.268199021046122
Energy: 1.4365919842234964
Energy: 1.653971738098761
Energy: 1.2508199374240927
Energy: 1.6539717380994916
Energy: 1.2508199374240927
Energy: 1.6539717380994916
Energy: 1.250819937424823
Energy: 1.3994979339807732
Energy: 1.249644636397809
Energy: 1.399497933993924
Energy: 1.249644636397809
Energy: 1.399497933979312
Energy: 1.249644636397809
Energy: 1.4402374935364064
Energy: 1.4151746172993465
Energy: 1.4402374935378675
Energy: 1.415174617298616
Energy: 1.4402374935364064
Energy: 1.4151746172993465
Energy: 0.9835851045832261
Energy: 1.1479700831965252
Energy: 0.9835851045839568
Energy: 1.1479700831972555
Energy: 0.9835851045846873
Energy: 1.1479700831950639
Energy: 1.5026272617943777
Energy: 1.2569474742661624
Energy: 1.5026272617951082
Energy: 1.256947474266893
Energy: 1.5026272617936471
Energy: 1.2569474742654319
Energy: 0.9825302762983259
Energy: 1.3575022527210256
Energy: 0.9825302763012481
Energy: 1.3575022527210256
Energy: 0.9825302762990564
Energy: 1.3575022527202947
Energy: 1.4398955807523088
Energy: 1.4141524896923972
Energy: 1.4398955807537699
Energy: 1.4141524896916666
Energy: 1.4398955807523088
Energy: 1.4141524896931277
Energy: 1.401755058449262
Energy: 1.2522596855274633
Energy: 1.401755058445609
Energy: 1.2522596855274633
Energy: 1.401755058451454
Energy: 1.2522596855267325
Energy: 1.6539575474956527
Energy: 1.1263132689425672
Energy: 1.6539575474956527
Energy: 1.126313268941106
Energy: 1.6539575474963832
Energy: 1.1263132689389141
Energy: 1.2683114685319163
Energy: 1.264263270185419
Energy: 1.2683114685326469
Energy: 1.2642632701839578
Energy: 1.2683114685326469
Energy: 1.2642632701868801
Energy: 1.4357897683081753
Energy: 1.4701095853178197
Energy: 1.4357897683110978
Energy: 1.4701095853163586
Energy: 1.435789768310367
Energy: 1.470109585315628

minimum gb energy = 0.9691144213238886 eV
minimum distance =  2.34221749900607 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 1.3420250649720586
Energy: 0.9865042642393792
Energy: 1.3420250649720586
Energy: 0.986504264238346
Energy: 1.3420250649730918
Energy: 0.9865042642393792
Energy: 1.3008186555582528
Energy: 1.21828540224907
Energy: 1.3008186555582528
Energy: 1.21828540224907
Energy: 1.3008186555602723
Energy: 1.2182854022480367
Energy: 1.1727519752555007
Energy: 1.3392228992016684
Energy: 1.172751975256534
Energy: 1.3392228992016684
Energy: 1.1727519752555007
Energy: 1.3392228992016684
Energy: 1.3977835381913855
Energy: 1.5212771231886077
Energy: 1.3977835381913855
Energy: 1.5212771231875744
Energy: 1.3977835381913855
Energy: 1.5212771231875744
Energy: 1.3025504852490801
Energy: 1.5006236045399548
Energy: 1.3025504852511463
Energy: 1.5006236045389214
Energy: 1.3025504852501133
Energy: 1.5006236045389214
Energy: 1.2240345345877288
Energy: 1.1652413736214131
Energy: 1.2240345345877288
Energy: 1.1652413736441438
Energy: 1.2240345345877288
Energy: 1.1652413737113025
Energy: 1.291499572482542
Energy: 1.1215633741480129
Energy: 1.291499572482542
Energy: 1.1215633741469797
Energy: 1.291499572482542
Energy: 1.1215633741469797
Energy: 1.3159699830751483
Energy: 1.4475119962193668
Energy: 1.3159699830751483
Energy: 1.4475119962193668
Energy: 1.3159699830751483
Energy: 1.4475119962183334
Energy: 1.1840119945436285
Energy: 1.4729002708304306
Energy: 1.1840119945436285
Energy: 1.4729002708304306
Energy: 1.1840119945436285
Energy: 1.4729002708293972
Energy: 1.3547207004047932
Energy: 1.2154652770850933
Energy: 1.3547207004058266
Energy: 1.2154652770850933
Energy: 1.3547207004047932
Energy: 1.2154652770850933
Energy: 1.2401844884326971
Energy: 1.1193670677624066
Energy: 1.240184488434764
Energy: 1.1193670677624066
Energy: 1.2401844884326971
Energy: 1.1193670677624066
Energy: 1.2616850142364804
Energy: 1.4129174573210432
Energy: 1.2616850142375136
Energy: 1.4129174573210432
Energy: 1.2616850142364804
Energy: 1.4129174573220766
Energy: 1.0899406324958647
Energy: 1.360498182627179
Energy: 1.0899406324958647
Energy: 1.3604981826282123
Energy: 1.0899406324958647
Energy: 1.3604981826282123
Energy: 1.2231359175673362
Energy: 1.1693076204188855
Energy: 1.2231359175652696
Energy: 1.1693076204188855
Energy: 1.2231359175663028
Energy: 1.1693076204188855
Energy: 1.3410928960361843
Energy: 1.2966709618684205
Energy: 1.3410928960361843
Energy: 1.2966709618673875
Energy: 1.3410928960361843
Energy: 1.2966709618673875
Energy: 1.338483072674047
Energy: 1.6267924560981863
Energy: 1.338483072674047
Energy: 1.6267924560992195
Energy: 1.338483072674047
Energy: 1.6267924560981863
Energy: 1.279374888607821
Energy: 1.181514374975334
Energy: 1.279374888607821
Energy: 1.181514374975334
Energy: 1.279374888606788
Energy: 1.181514374974301

minimum gb energy = 0.986504264238346 eV
minimum distance =  2.36650714583494 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 1.2941026910644269
Energy: 0.9504913517376027
Energy: 1.2427347336754417
Energy: 0.9504913517364056
Energy: 1.2941026910644269
Energy: 0.9504913517368047
Energy: 1.2865920271781057
Energy: 1.2721056910474648
Energy: 1.1687660604766434
Energy: 1.2721056910474648
Energy: 1.2865920271785045
Energy: 1.272105691048662
Energy: 1.1941366795730382
Energy: 1.229355862522877
Energy: 1.1951391081185778
Energy: 1.2293558625220793
Energy: 1.194136679573437
Energy: 1.229355862522877
Energy: 1.3253426107077704
Energy: 1.1457489712003646
Energy: 1.3253098463352193
Energy: 1.1457489712015614
Energy: 1.3253426107081694
Energy: 1.1457489712011626
Energy: 1.4131770812996114
Energy: 1.4047761707261832
Energy: 1.4131770813000106
Energy: 1.4047761707265818
Energy: 1.4131770812996114
Energy: 1.4047761707261832
Energy: 1.0836728133036388
Energy: 1.192549483456448
Energy: 1.0836665436388198
Energy: 1.1925494834560493
Energy: 1.0836728133032398
Energy: 1.192549483458443
Energy: 1.3391997854775075
Energy: 1.1230831052985693
Energy: 1.3391997854779063
Energy: 1.123083105298968
Energy: 1.3391997854779063
Energy: 1.123083105299766
Energy: 1.3620832467113995
Energy: 1.4296227246663586
Energy: 1.3620832467117983
Energy: 1.4296227246651616
Energy: 1.3620832467113995
Energy: 1.4296227246659596
Energy: 1.0801196027590905
Energy: 1.304990863928048
Energy: 1.0801196027602873
Energy: 1.30499086392725
Energy: 1.0801196027606865
Energy: 1.304990863928048
Energy: 1.1528364284966401
Energy: 0.9928874771447781
Energy: 1.1528364284974382
Energy: 0.9928874771443791
Energy: 1.1528364284970394
Energy: 0.9928874771443791
Energy: 1.2522947814118812
Energy: 1.1921169403660483
Energy: 1.25229478141228
Energy: 1.1921169403652503
Energy: 1.252294781411482
Energy: 1.192116940365649
Energy: 1.1262663183858748
Energy: 1.2980877711761754
Energy: 1.126266318385476
Energy: 1.2980877711761754
Energy: 1.1262663183858748
Energy: 1.2980877711765741
Energy: 1.2361639761835155
Energy: 1.1401142082847089
Energy: 1.2361639761835155
Energy: 1.1401142082847089
Energy: 1.2361639761839145
Energy: 1.1401142082831128
Energy: 1.225596133482003
Energy: 1.0979502651225945
Energy: 1.225596133478412
Energy: 1.0979502651225945
Energy: 1.2255961334780132
Energy: 1.0979502651221955
Energy: 1.1976726202445864
Energy: 1.3509834731350372
Energy: 1.197449830897951
Energy: 1.35098347313783
Energy: 1.1976726202461825
Energy: 1.350983473139426
Energy: 1.2538849736478528
Energy: 1.1885894855624948
Energy: 1.2538507702571722
Energy: 1.1440706350192547
Energy: 1.2538849736474538
Energy: 1.1440706350184566
Energy: 1.2755078000226978
Energy: 1.0869871796617097
Energy: 1.2755078000262887
Energy: 1.0869871796621087
Energy: 1.2755078000266877
Energy: 1.0869871796617097
Energy: 1.3012100225615861
Energy: 1.2084553971235443
Energy: 1.3012100225611871
Energy: 1.2084553971231455
Energy: 1.3012100225615861
Energy: 1.2084553971227463
Energy: 1.191671681188506
Energy: 1.4575543920140852
Energy: 1.191671681189703
Energy: 1.4575543920128882
Energy: 1.191671681188905
Energy: 1.457554392014883
Energy: 1.108678288311018
Energy: 0.8716692770429966
Energy: 1.10867828831022
Energy: 0.8716692770465512
Energy: 1.1086782883114168
Energy: 0.8716692770449553
Energy: 1.2312545363686243
Energy: 1.6492041227505132
Energy: 1.2312545363686243
Energy: 1.6492041227513112
Energy: 1.2312545363690233
Energy: 1.649204122752508
Energy: 1.2255307798607589
Energy: 1.2079217808332003
Energy: 1.225530779857966
Energy: 1.2079217808328016
Energy: 1.2255307798611577
Energy: 1.2079217808332003
Energy: 1.2447262987421692
Energy: 1.0316374916622129
Energy: 1.2447262987409724
Energy: 1.0316374916626119
Energy: 1.2447262987417704
Energy: 1.0316374916622129
Energy: 1.0988262112282499
Energy: 1.3570941642235712
Energy: 1.0988262112290477
Energy: 1.3570941642207783
Energy: 1.0988262112290477
Energy: 1.3570941642227732
Energy: 1.284363274693203
Energy: 1.3606498212338312
Energy: 1.2843632746912077
Energy: 1.3606498212434066
Energy: 1.2843632746896119
Energy: 1.3606498212418108
Energy: 1.2644741257964358
Energy: 1.0677835768836694
Energy: 1.2082047151109636
Energy: 1.0677835768816746
Energy: 1.2644741257968348
Energy: 1.0677835768832706
Energy: 1.2434006172100747
Energy: 1.0841914297370288
Energy: 1.184400954607777
Energy: 1.0841914297394228
Energy: 1.2434006172112717
Energy: 1.0841914297505943
Energy: 1.3010926942440162
Energy: 1.431060307957887
Energy: 1.3197427528954369
Energy: 1.4310603079574882
Energy: 1.301092694244415
Energy: 1.4310603079582862
Energy: 1.2561451442402745
Energy: 1.246313871313517
Energy: 1.2343192949461663
Energy: 1.2463138713139161
Energy: 1.2561451442386786
Energy: 1.246313871313517
Energy: 1.1346461530637155
Energy: 0.9827528388444343
Energy: 1.1346461530637155
Energy: 0.9827528388448333
Energy: 1.1346461530629175
Energy: 0.9827528388448333
Energy: 1.1395516706676274
Energy: 1.3615478923046043
Energy: 1.1395516706676274
Energy: 1.361547892305003
Energy: 1.139551670669223
Energy: 1.361547892304205
Energy: 1.2991295346621472
Energy: 1.5147687713489704
Energy: 1.2991295346617484
Energy: 1.5147687713489704
Energy: 1.2991295346609504
Energy: 1.5147687713485714
Energy: 1.2302947351931153
Energy: 1.0143690099987752
Energy: 1.2302947351931153
Energy: 1.0143690099979772
Energy: 1.2302947351927165
Energy: 1.0143690099987752
Energy: 1.0611129463678752
Energy: 1.1344185852386965
Energy: 1.061112946368274
Energy: 1.1344185852382975
Energy: 1.061112946368274
Energy: 1.1344185852390956
Energy: 1.3755029181522755
Energy: 1.2177340035679194
Energy: 1.3755029181522755
Energy: 1.2177340035695152
Energy: 1.3755029181522755
Energy: 1.2177340035699142
Energy: 1.3251691157726533
Energy: 1.089202512097323
Energy: 1.3251691157722543
Energy: 1.089202512097722
Energy: 1.3251691157726533
Energy: 1.08920251209852
Energy: 1.1626609976070377
Energy: 1.213850366437656
Energy: 1.1626609976066384
Energy: 1.2138503664384541
Energy: 1.1626609976074365
Energy: 1.213850366437656
Energy: 1.2513690942578257
Energy: 1.233430796395564
Energy: 1.2513690942594216
Energy: 1.2334307963943671
Energy: 1.2513690942590228
Energy: 1.233430796395165
Energy: 1.242734733673447
Energy: 0.9504913517364056
Energy: 1.2427347336726489
Energy: 0.9504913517376027
Energy: 1.2427347336698558
Energy: 0.9504913517376027
Energy: 1.1687660604778403
Energy: 1.3261274762497048
Energy: 1.1687660604774415
Energy: 1.3261274762501036
Energy: 1.1687660604774415
Energy: 1.3261274762497048
Energy: 1.2028837135931874
Energy: 1.2259973889771258
Energy: 1.2028836419955196
Energy: 1.2259973889775246
Energy: 1.2028837135927883
Energy: 1.2259973889775246
Energy: 1.3205280280459495
Energy: 1.113436773735736
Energy: 1.3204305131198495
Energy: 1.1134367737353368
Energy: 1.3205280280459495
Energy: 1.113436773735736
Energy: 1.4131770812992126
Energy: 1.4047461574999345
Energy: 1.4131770812984146
Energy: 1.4047461575007325
Energy: 1.4131770812992126
Energy: 1.4047461574999345

minimum gb energy = 0.8716692770429966 eV
minimum distance =  2.33184224764364 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 1.1268960768121918
Energy: 0.826770756426961
Energy: 1.1268960768160898
Energy: 0.8267707564282603
Energy: 1.1268960768154401
Energy: 0.8267707564250121
Energy: 0.9508827701197201
Energy: 1.0511209377958735
Energy: 0.9508827701210195
Energy: 1.0511209377932749
Energy: 0.9508827701203698
Energy: 1.0511209377965232
Energy: 1.0289042714615704
Energy: 1.0467906174829649
Energy: 1.0289042714583223
Energy: 1.0467906174829649
Energy: 1.0289042714609207
Energy: 1.0467906174842643
Energy: 1.2137716291582448
Energy: 0.956775599340004
Energy: 1.2137716291569454
Energy: 0.9567755993374056
Energy: 1.2137716291582448
Energy: 0.9567755993367559
Energy: 1.2237228429419797
Energy: 0.9568342377003568
Energy: 1.2237228429439286
Energy: 0.9568342377042547
Energy: 1.2237228429419797
Energy: 0.9568342377003568
Energy: 0.9535157592995216
Energy: 1.1214662620255027
Energy: 0.9535157592982223
Energy: 1.1214662620268019
Energy: 0.9535157592995216
Energy: 1.1214662620255027
Energy: 1.1857193525168186
Energy: 1.0399740089358591
Energy: 1.18571935251422
Energy: 1.0399740089384577
Energy: 1.185719352512271
Energy: 1.039974008937808
Energy: 1.1189254811496545
Energy: 1.1219632821255558
Energy: 1.1189254811483549
Energy: 1.1219632821229573
Energy: 1.1189254811477052
Energy: 1.121963282121658
Energy: 0.9520960300475947
Energy: 1.013511705761215
Energy: 0.9520960300475947
Energy: 1.0135117057625145
Energy: 0.9520960300475947
Energy: 1.0135117057618648
Energy: 1.0106237435450334
Energy: 1.1338227578695912
Energy: 1.010623743543734
Energy: 1.133822757870241
Energy: 1.0106237435450334
Energy: 1.1338227578689417
Energy: 1.1677254600591966
Energy: 1.270840061841534
Energy: 1.1677254600611455
Energy: 1.270840061834388
Energy: 1.1677254600598461
Energy: 1.2708400618350377
Energy: 0.8836950590882061
Energy: 1.2210747583851085
Energy: 0.8836950590875564
Energy: 1.221074758383809
Energy: 0.8836950590869068
Energy: 1.221074758383809
Energy: 1.0295610807897237
Energy: 1.037666116312224
Energy: 1.0295610807903735
Energy: 1.0376661163135232
Energy: 1.0295610807910232
Energy: 1.0376661163148226
Energy: 1.1112340502454106
Energy: 1.0566232863591474
Energy: 1.1112340502473594
Energy: 1.0566232863682425
Energy: 1.11123405024671
Energy: 1.0566232863338112
Energy: 0.9896157569458521
Energy: 1.147421931576236
Energy: 0.9896157569452025
Energy: 1.1474219315801337
Energy: 0.9896157569380564
Energy: 1.1474219315775351
Energy: 1.0532880754205356
Energy: 1.1204939208221996
Energy: 1.053288075417937
Energy: 1.1204939208228493
Energy: 1.053288075419886
Energy: 1.1204939208228493
Energy: 1.0853496778204303
Energy: 0.9440994764756935
Energy: 1.0853496778301162
Energy: 0.9440994764691969
Energy: 1.0853496778152334
Energy: 0.9440994764756935
Energy: 1.0202416040557454
Energy: 1.3104613979415989
Energy: 1.0202416040479498
Energy: 1.310461397942898
Energy: 1.020241604058344
Energy: 1.3104613979415989
Energy: 0.9746640631898383
Energy: 1.0547585528686871
Energy: 0.9746640631956851
Energy: 1.0547585528699863
Energy: 0.9746640631891886
Energy: 1.0547585528732344
Energy: 1.2537517671314977
Energy: 0.955421308702212
Energy: 1.2537517671314977
Energy: 0.9554213087035114
Energy: 1.2537517671301983
Energy: 0.9554213087048106
Energy: 1.177070197831257
Energy: 1.2522022951289564
Energy: 1.1770701978319065
Energy: 1.2522022951309053
Energy: 1.177070197831257
Energy: 1.2522022951302556
Energy: 0.9022634075008279
Energy: 1.1304832933092968
Energy: 0.9022634074917326
Energy: 1.1304832933079974
Energy: 0.9022634074904334
Energy: 1.130483293308647
Energy: 1.0398676760154995
Energy: 0.9001655298278468
Energy: 1.0398676760142
Energy: 0.9001655298271972
Energy: 1.0398676760148498
Energy: 0.9001655298265475
Energy: 1.085134221109903
Energy: 1.360464287664432
Energy: 1.0851342211066546
Energy: 1.360464287664432
Energy: 1.0851342211112023
Energy: 1.360464287664432
Energy: 1.2231519720679003
Energy: 1.1338220290248426
Energy: 1.2231519720672506
Energy: 1.1338220290248426
Energy: 1.2231519720685498
Energy: 1.133822029024193
Energy: 1.3363901412408976
Energy: 0.8914620371098714
Energy: 1.3363901412428465
Energy: 0.8914620371098714
Energy: 1.3363901412434964
Energy: 0.8914620371092217
Energy: 0.9752517677156439
Energy: 1.1259776470081275
Energy: 0.9752517677169431
Energy: 1.1259776470061786
Energy: 0.9752517677169431
Energy: 1.1259776470081275

minimum gb energy = 0.8267707564250121 eV
minimum distance =  2.37965196656652 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 1.1766530701027438
Energy: 0.7932281613696762
Energy: 1.176653070105584
Energy: 0.7932281613744097
Energy: 1.1766530701027438
Energy: 0.7932281613729897
Energy: 0.8720330086001175
Energy: 0.9051668521239122
Energy: 0.8720330086554552
Energy: 0.9051668521215455
Energy: 0.8720330090032299
Energy: 0.9051668521267523
Energy: 0.8809588800205707
Energy: 0.9065467783860881
Energy: 0.8809588800210439
Energy: 0.9065467783851414
Energy: 0.8809588800200973
Energy: 0.9065467783860881
Energy: 1.1466112064383396
Energy: 0.7986716332917719
Energy: 1.1466112064416527
Energy: 0.7986716332927185
Energy: 1.1466112064402327
Energy: 0.7986716332922452
Energy: 0.9721983022480605
Energy: 0.8696285157361463
Energy: 0.9721983022466404
Energy: 0.8696285157356729
Energy: 0.9721983022461671
Energy: 0.8696285157361463
Energy: 0.8217288611605642
Energy: 0.93290119993393
Energy: 0.8217288611605642
Energy: 0.9329011999329834
Energy: 0.8217288611596175
Energy: 0.9329011999334567
Energy: 0.9826136426183885
Energy: 0.8648210195843258
Energy: 0.9826136426193354
Energy: 0.8648210195843258
Energy: 0.982613642617442
Energy: 0.8648210195857456
Energy: 1.0782590841824515
Energy: 1.0213115811716367
Energy: 1.0782590841791384
Energy: 1.0213115811721099
Energy: 1.0782590841824515
Energy: 1.0213115811721099
Energy: 0.7592074381309946
Energy: 0.8982002012293032
Energy: 0.7592074381309946
Energy: 0.8982002012297765
Energy: 0.7592074381309946
Energy: 0.89820020122883
Energy: 1.0916408968026112
Energy: 0.8284121462017989
Energy: 1.0916408968030844
Energy: 0.8284121462013256
Energy: 1.0916408968035578
Energy: 0.8284121462008524
Energy: 1.098433136297002
Energy: 1.0272585587215224
Energy: 1.098433136296055
Energy: 1.0272585587205756
Energy: 1.098433136296055
Energy: 1.0272585587219958
Energy: 0.8365123828953029
Energy: 0.9547309188915154
Energy: 0.8365123828948295
Energy: 0.9547309188915154
Energy: 0.8365123828948295
Energy: 0.9547309188915154
Energy: 0.8532400291408512
Energy: 0.7667758703574742
Energy: 0.8532400291328474
Energy: 0.7667758703579477
Energy: 0.8532400291380541
Energy: 0.766775870359841
Energy: 1.0199272223558262
Energy: 1.0051614673740952
Energy: 1.0199272223544062
Energy: 1.0051614673768923
Energy: 1.0199272223558262
Energy: 1.005161467370782
Energy: 0.8186384087846184
Energy: 1.0303188878960394
Energy: 0.8186384087841451
Energy: 1.0303188878965126
Energy: 0.8186384087841451
Energy: 1.0303188878955658
Energy: 0.9287205861501174
Energy: 0.8133605422595861
Energy: 0.9287205861520108
Energy: 0.8133605422610062
Energy: 0.9287205861524842
Energy: 0.8133605422619529
Energy: 1.0357314031302824
Energy: 0.9370520622421622
Energy: 1.0357314031307558
Energy: 0.9370520622412155
Energy: 1.0357314031317024
Energy: 0.9370520622412155
Energy: 0.7733899280946397
Energy: 1.0273805992101492
Energy: 0.7733899280936929
Energy: 1.0273805992087293
Energy: 0.7733899280922729
Energy: 1.0273805992082559
Energy: 0.9218859775928364
Energy: 0.8836716737247606
Energy: 0.9218859775933099
Energy: 0.8836716737276007
Energy: 0.9218859775928364
Energy: 0.8836716737233407
Energy: 1.0590168655265184
Energy: 1.0143595216794974
Energy: 1.0590168655250987
Energy: 1.014359521680444
Energy: 1.059016865526045
Energy: 1.0143595216799708
Energy: 0.8648759182975493
Energy: 1.0559271705434685
Energy: 0.8648759182975493
Energy: 1.055927170543942
Energy: 0.864875918297076
Energy: 1.0559271705429951
Energy: 1.023824737329665
Energy: 1.0155099361161448
Energy: 1.0238247373287181
Energy: 1.0155099361161448
Energy: 1.023824737329665
Energy: 1.0155099361161448
Energy: 1.0021829072376707
Energy: 0.9260738837383294
Energy: 0.9604298332397885
Energy: 0.9260738837378562
Energy: 1.0021829072390906
Energy: 0.9260738837397495
Energy: 0.9161864551339295
Energy: 1.0620736592960602
Energy: 0.9161864551344029
Energy: 1.0620736593310873
Energy: 0.9161864551306163
Energy: 1.0620736593239872
Energy: 0.868557366897664
Energy: 0.7991577299035256
Energy: 0.8685573668971908
Energy: 0.7991577299058924
Energy: 0.8685573668981375
Energy: 0.7991577299049457
Energy: 0.9738909230306396
Energy: 0.8296590193377783
Energy: 0.9738909230282731
Energy: 0.8296590193368316
Energy: 0.9738909230334797
Energy: 0.8296590193363582
Energy: 0.7825287470505194
Energy: 0.924310051390454
Energy: 0.7825287470557263
Energy: 0.9243100513861938
Energy: 0.7825287470472061
Energy: 0.9243100513857204
Energy: 0.7926729821958513
Energy: 0.7629091446084618
Energy: 0.7926729821958513
Energy: 0.7629091445076838
Energy: 0.792672982198218
Energy: 0.7629091445767483
Energy: 1.023819418633613
Energy: 0.7629120761641417
Energy: 1.023819418633613
Energy: 0.7629120761622483
Energy: 1.0238194186331395
Energy: 0.762912076164615
Energy: 0.8032289782126228
Energy: 1.0246514541125482
Energy: 0.8032289782159363
Energy: 1.0246514541111285
Energy: 0.8032289782041028
Energy: 1.024651454112075
Energy: 0.8535990001678019
Energy: 0.9807238181243146
Energy: 0.8535990001692219
Energy: 0.9807238181238414
Energy: 0.8535990001673286
Energy: 0.9807238181228947
Energy: 0.9931161230001414
Energy: 0.7138093696596305
Energy: 0.9931161229991947
Energy: 0.7138093696596305
Energy: 0.9931161229977749
Energy: 0.7138093696601038
Energy: 0.8342329591692207
Energy: 1.0113585132574818
Energy: 0.8342329591687474
Energy: 1.0113585132570084
Energy: 0.8342329591687474
Energy: 1.011358513256535
Energy: 1.0321751892231839
Energy: 1.1467326918101184
Energy: 1.0321751892241304
Energy: 1.1467326918096452
Energy: 1.0321751892241304
Energy: 1.1467326918091718
Energy: 1.0579844331746788
Energy: 0.7499845310414418
Energy: 1.0579844331751522
Energy: 0.7499845310404951
Energy: 1.0579844331751522
Energy: 0.7499845310414418
Energy: 0.7814031073853652
Energy: 0.8786724258936274
Energy: 0.7814031073853652
Energy: 0.8786724258926807
Energy: 0.7814031073867853
Energy: 0.8786724258941008

minimum gb energy = 0.7138093696596305 eV
minimum distance =  2.38971457381249 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 0.007177127682885019
Energy: 0.047690244259751734
Energy: 0.007177127684624176
Energy: 0.047690244259751734
Energy: 0.007177127682885019
Energy: 0.047690244259751734
Energy: 0.8103499735447494
Energy: 0.14659372750756736
Energy: 0.8103499735447494
Energy: 0.14659372750756736
Energy: 0.8103499735430101
Energy: 0.14659372750756736
Energy: 0.8103476229075575
Energy: 0.14665448912069307
Energy: 0.8103476229075575
Energy: 0.14665448912069307
Energy: 0.8103476229040792
Energy: 0.14665448912069307
Energy: 0.007177127682885019
Energy: 0.047690244259751734
Energy: 0.007177127684624176
Energy: 0.04769024426323005
Energy: 0.007177127682885019
Energy: 0.04769024426149089
Energy: 0.8103499735447494
Energy: 0.1465937275058282
Energy: 0.8103499735447494
Energy: 0.14659372750756736
Energy: 0.8103499735447494
Energy: 0.14659372750756736
Energy: 0.8103476229040792
Energy: 0.14665448912069307
Energy: 0.8103476229040792
Energy: 0.14665448912069307
Energy: 0.8103476229092966
Energy: 0.14665448912069307
Energy: 0.007177127682885019
Energy: 0.04769024426149089
Energy: 0.007177127684624176
Energy: 0.047690244259751734
Energy: 0.007177127684624176
Energy: 0.047690244259751734
Energy: 0.8103499735447494
Energy: 0.14659372750930652
Energy: 0.810349973541271
Energy: 0.14659372750756736
Energy: 0.8103499735395318
Energy: 0.1465937275058282
Energy: 0.8103476229040792
Energy: 0.14665448912069307
Energy: 0.8103476229040792
Energy: 0.14665448912069307
Energy: 0.8103476229040792
Energy: 0.1466544891224322
Energy: 0.007177127682885019
Energy: 0.047690244259751734
Energy: 0.007177127684624176
Energy: 0.047690244259751734
Energy: 0.007177127684624176
Energy: 0.047690244259751734

minimum gb energy = 0.007177127682885019 eV
minimum distance =  2.55577029718709 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 0.8407182574035339
Energy: 0.8692523509576552
Energy: 0.8407182573983294
Energy: 0.8692523509597372
Energy: 0.8407182573972886
Energy: 0.8692523509592166
Energy: 0.9779973026744414
Energy: 0.8634954265577939
Energy: 0.9779973026744414
Energy: 0.8634954265572735
Energy: 0.9779973026749619
Energy: 0.8634954265583143
Energy: 0.8662086896430847
Energy: 0.8589986938978402
Energy: 0.8662086896378801
Energy: 0.8589986938962789
Energy: 0.8662086896368392
Energy: 0.8589986938952379
Energy: 0.7780539019275131
Energy: 0.8489957947593606
Energy: 0.7780539019243904
Energy: 0.848995794759881
Energy: 0.7780539019327176
Energy: 0.848995794759881
Energy: 0.8397428598328854
Energy: 1.019585745974854
Energy: 0.8397428598328854
Energy: 1.0195857459753743
Energy: 0.8397428598328854
Energy: 1.0195857459753743
Energy: 0.8549581325914287
Energy: 0.9203665045233945
Energy: 0.8549581325909084
Energy: 0.9203665045228742
Energy: 0.8549581325919491
Energy: 0.9203665045228742
Energy: 0.8339740557381404
Energy: 0.8236353321304485
Energy: 0.833974055738661
Energy: 0.8236353321288872
Energy: 0.8339740557417836
Energy: 0.8236353321288872
Energy: 0.8287397217517465
Energy: 0.8499440911171207
Energy: 0.828739721752267
Energy: 0.8499440911135249
Energy: 0.8287397217517465
Energy: 0.849944091118682
Energy: 0.8597942498859765
Energy: 0.8497955636785046
Energy: 0.8597942498864969
Energy: 0.8497955636785046
Energy: 0.8597942498864969
Energy: 0.8497955636779841
Energy: 0.9308868245943701
Energy: 0.7647825341143023
Energy: 0.9308868245943701
Energy: 0.7647825341137819
Energy: 0.9308868245943701
Energy: 0.7647825341143023
Energy: 0.7982011315067523
Energy: 0.8228214803966233
Energy: 0.7982011315057115
Energy: 0.8228214911307612
Energy: 0.7982011315072729
Energy: 0.8228214958309238
Energy: 0.9019790496553791
Energy: 0.9159324156019044
Energy: 0.9019790496553791
Energy: 0.9159324156013837
Energy: 0.9019790496553791
Energy: 0.9159324156024247
Energy: 0.9566154172548792
Energy: 0.7697724920067603
Energy: 0.9566154172543587
Energy: 0.7697724920072807
Energy: 0.9566154172548792
Energy: 0.7697724920067603
Energy: 0.7673658737003782
Energy: 0.8411180579177886
Energy: 0.7673658737008987
Energy: 0.841118057914666
Energy: 0.767365873703501
Energy: 0.841118057913625
Energy: 0.8363751171554377
Energy: 0.8728548050142452
Energy: 0.8363751171564787
Energy: 0.8728548050132042
Energy: 0.8363751171549174
Energy: 0.8728548050126838
Energy: 0.950709391424878
Energy: 0.8037959798913468
Energy: 0.9507093914243577
Energy: 0.8037959798913468
Energy: 0.950709391424878
Energy: 0.8037959798918672
Energy: 0.9235004532625317
Energy: 0.7785192001174772
Energy: 0.9235004532625317
Energy: 0.7785192001164363
Energy: 0.9235004532635727
Energy: 0.7785192001174772
Energy: 0.929549734868706
Energy: 0.8479154983140533
Energy: 0.929549734868706
Energy: 0.847915498315094
Energy: 0.9295497348692265
Energy: 0.8479154983145737
Energy: 0.8608064184283437
Energy: 0.9138631537906804
Energy: 0.8608064184288644
Energy: 0.9138631537927622
Energy: 0.8608064184299052
Energy: 0.9138631537906804
Energy: 0.9549738681801835
Energy: 1.2026985477080354
Energy: 0.954973868180704
Energy: 1.2026985477059535
Energy: 0.9549738681812243
Energy: 1.2026985477080354
Energy: 0.8588963932172861
Energy: 0.7831999035554685
Energy: 0.8588963932188474
Energy: 0.783199903555989
Energy: 0.8588963932172861
Energy: 0.7831999035554685
Energy: 0.9029840334766334
Energy: 0.8836430065755271
Energy: 0.9029840334677859
Energy: 0.8836430065713635
Energy: 0.9029840334667449
Energy: 0.8836430065708432
Energy: 0.8591415877113895
Energy: 1.1448995568951665
Energy: 0.8591415877113895
Energy: 1.1448995568951665
Energy: 0.8591415877134712
Energy: 1.1448995569092186
Energy: 0.8650457020591088
Energy: 0.6958949899067844
Energy: 0.8650457020596293
Energy: 0.6958949899083458
Energy: 0.8650457020591088
Energy: 0.6958949899073048
Energy: 0.8689900467522561
Energy: 0.8641655674084979
Energy: 0.8689900467506948
Energy: 0.8641655674084979
Energy: 0.8689900467532969
Energy: 0.8641655674090183
Energy: 0.7230307345523731
Energy: 0.8611324186272383
Energy: 0.7230307345518526
Energy: 0.8611324186381678
Energy: 0.7230307345523731
Energy: 0.8611324186345245
Energy: 0.9562948958797695
Energy: 0.907359520528615
Energy: 0.9562948958776878
Energy: 0.9073595205280945
Energy: 0.9562948958782082
Energy: 0.9073595205280945
Energy: 0.8327063911856027
Energy: 0.859321215270978
Energy: 0.8327063911861231
Energy: 0.8593212152714984
Energy: 0.8327063911835207
Energy: 0.8593212152714984
Energy: 0.7089191940131454
Energy: 0.9550457095242132
Energy: 0.7089191940131454
Energy: 0.9550457095216109
Energy: 0.7089191940136659
Energy: 0.9550457095205702
Energy: 1.027200751148175
Energy: 0.9096076597273429
Energy: 1.0272007511440118
Energy: 0.9096076597242202
Energy: 1.027200751148175
Energy: 0.9096076597278633
Energy: 0.8353376762543993
Energy: 0.8584419079757348
Energy: 0.8353376762538789
Energy: 0.8584419079767758
Energy: 0.8353376762549198
Energy: 0.8584419079757348
Energy: 0.733412631057688
Energy: 0.9384663298480417
Energy: 0.7334126310545652
Energy: 0.9384663298470007
Energy: 0.7334126310545652
Energy: 0.9384663298475211
Energy: 0.7386246100797015
Energy: 0.8620729186147109
Energy: 0.7386246100797015
Energy: 0.8620729186141904
Energy: 0.7386246100797015
Energy: 0.8620729186121086

minimum gb energy = 0.6958949899067844 eV
minimum distance =  2.4057827212472 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 0.9811494564133392
Energy: 1.1091927084337958
Energy: 0.9811494564103728
Energy: 1.1091927084308295
Energy: 0.9811494564103728
Energy: 1.1091927084330544
Energy: 1.0009353582274818
Energy: 1.0406399788053062
Energy: 1.0009353582348977
Energy: 1.0406399788053062
Energy: 1.0009353582348977
Energy: 1.0406399788060479
Energy: 1.0228764566481896
Energy: 1.044159184583416
Energy: 1.0228764566533803
Energy: 1.0441591845826745
Energy: 1.0228764566533803
Energy: 1.0441591845826745
Energy: 1.1062454822980856
Energy: 0.9073440789594224
Energy: 1.1062454822980856
Energy: 0.9073440789571978
Energy: 1.1062454823017938
Energy: 0.9073440789609056
Energy: 1.0452935570887392
Energy: 1.007269101791553
Energy: 1.0452935570879975
Energy: 1.0072691017908113
Energy: 1.0452935570879975
Energy: 1.00726910179007
Energy: 1.0610007763787286
Energy: 1.0388656495197754
Energy: 1.0610007763787286
Energy: 1.0388656495197754
Energy: 1.0610007763787286
Energy: 1.0388656495190338
Energy: 1.0400464091331258
Energy: 1.007022212598605
Energy: 1.040046409130901
Energy: 1.0070222126000883
Energy: 1.040046409132384
Energy: 1.007022212598605
Energy: 1.0910486354857991
Energy: 1.024720588038387
Energy: 1.0910486354820912
Energy: 1.02472058803987
Energy: 1.0910486354828326
Energy: 1.02472058803987
Energy: 1.145734906035704
Energy: 1.168236049343515
Energy: 1.145734906035704
Energy: 1.1682360493442565
Energy: 1.1457349060349622
Energy: 1.168236049343515
Energy: 1.054835509651313
Energy: 1.022737547409287
Energy: 1.0548355096520545
Energy: 1.0227375474100289
Energy: 1.0548355096505713
Energy: 1.0227375474085456
Energy: 1.1590809939446498
Energy: 0.916824668875338
Energy: 1.1590809939453912
Energy: 0.9168246688738549
Energy: 1.1590809939453912
Energy: 0.9168246688738549
Energy: 1.0154002688139647
Energy: 0.9842377010495329
Energy: 1.0154002688139647
Energy: 0.9842377010495329
Energy: 1.0154002688139647
Energy: 0.9842377010502745
Energy: 1.0200573901620191
Energy: 1.106389765668563
Energy: 1.0200573901605359
Energy: 1.1063897656693045
Energy: 1.0200573901605359
Energy: 1.106389765668563
Energy: 1.1932369294296707
Energy: 0.8928127105625319
Energy: 1.1932369294296707
Energy: 0.8928127105588239
Energy: 1.1932369294296707
Energy: 0.8928127105603071
Energy: 0.9043111242648855
Energy: 0.92859685452232
Energy: 0.9043111242678517
Energy: 0.9285968545215786
Energy: 0.9043111242685933
Energy: 0.92859685452232
Energy: 1.0479666134818353
Energy: 1.1077739530928934
Energy: 1.0479666134825771
Energy: 1.107773953092152
Energy: 1.0479666134825771
Energy: 1.1077739530928934
Energy: 1.05076687820977
Energy: 1.042188741843447
Energy: 1.05076687820977
Energy: 1.0421887418478963
Energy: 1.050766878211995
Energy: 1.0421887418419638
Energy: 1.1199749800467755
Energy: 0.8741731273106066
Energy: 1.1199749800475172
Energy: 0.8741731273120895
Energy: 1.119974980043809
Energy: 0.874173127311348
Energy: 1.0450226949568269
Energy: 1.0800392756489066
Energy: 1.04502269495831
Energy: 1.0800392756481647
Energy: 1.0450226949568269
Energy: 1.0800392756489066
Energy: 1.1193120074417224
Energy: 1.0891944372566602
Energy: 1.1193120074417224
Energy: 1.0891944372566602
Energy: 1.1193120074417224
Energy: 1.0891944372566602
Energy: 1.105337449364953
Energy: 1.0383941620727237
Energy: 1.105337449364953
Energy: 1.0383941620727237
Energy: 1.1053374493664363
Energy: 1.0383941620734654
Energy: 1.1130464231596187
Energy: 1.3424299738163308
Energy: 1.1130464231596187
Energy: 1.3424299738155894
Energy: 1.1130464231588773
Energy: 1.3424299738155894
Energy: 0.8489156014960803
Energy: 1.1711104734382083
Energy: 0.848915601498305
Energy: 1.1711104734396915
Energy: 0.8489156014975635
Energy: 1.1711104734396915

minimum gb energy = 0.8489156014960803 eV
minimum distance =  2.40621125080026 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 1.0617716788916947
Energy: 1.26959523669007
Energy: 1.0617618954583894
Energy: 1.2695952366905403
Energy: 1.0617880231972692
Energy: 1.2695952366905403
Energy: 1.0696646554127085
Energy: 1.167709903426864
Energy: 1.0696646554150608
Energy: 1.1677099034278051
Energy: 1.06966465541412
Energy: 1.1677099034273348
Energy: 1.1898000585050406
Energy: 1.168805285020899
Energy: 1.1898000585040998
Energy: 1.168805285019958
Energy: 1.1898000585045703
Energy: 1.168805285019958
Energy: 1.0986988147358412
Energy: 1.063057778361138
Energy: 1.0986988147386638
Energy: 1.0630577783616084
Energy: 1.0986988147325483
Energy: 1.0630577783606674
Energy: 1.3415642290108418
Energy: 1.2909516984218685
Energy: 1.3415642290103713
Energy: 1.2909516984223388
Energy: 1.3415642290103713
Energy: 1.2909516984223388
Energy: 1.301636114371294
Energy: 1.2299544626301797
Energy: 1.3016361143708235
Energy: 1.2477502007531003
Energy: 1.301636114371294
Energy: 1.2477502007531003
Energy: 1.1997170062477975
Energy: 1.1929381921020539
Energy: 1.1997170062463862
Energy: 1.1929381921025244
Energy: 1.1997170062463862
Energy: 1.1929381921025244
Energy: 1.1777058996567717
Energy: 0.9567672908464808
Energy: 1.177705899653008
Energy: 0.9567672908356608
Energy: 1.1777058996492447
Energy: 0.9567672908304857
Energy: 1.1559714513874935
Energy: 1.1429586017634408
Energy: 1.1559714513874935
Energy: 1.1429586017620292
Energy: 1.1559714513874935
Energy: 1.1429586017620292
Energy: 1.2781509283272934
Energy: 1.1268940464881467
Energy: 1.2781509283263526
Energy: 1.126894046489558
Energy: 1.2781509283272934
Energy: 1.1268940464937922
Energy: 1.3716230694060536
Energy: 1.1144818292966052
Energy: 1.3716230694060536
Energy: 1.114481829291901
Energy: 1.3716230694060536
Energy: 1.1144818292904897
Energy: 1.0417955912356225
Energy: 1.0741414681060844
Energy: 1.041795591235152
Energy: 1.0741414681060844
Energy: 1.0417955912370336
Energy: 1.0741414681056138
Energy: 1.2177844580516202
Energy: 1.1699843367354936
Energy: 1.2177844580539723
Energy: 1.169984336735964
Energy: 1.2177844580539723
Energy: 1.169984336735964
Energy: 1.1749911633095513
Energy: 1.0604997985132243
Energy: 1.1749911633095513
Energy: 1.0604997985113422
Energy: 1.174991163309081
Energy: 1.0604997985132243
Energy: 1.1642065561808244
Energy: 1.1511094933648647
Energy: 1.1642065561803538
Energy: 1.1511094933648647
Energy: 1.1642065561803538
Energy: 1.1511094933648647
Energy: 1.0982002531078687
Energy: 1.3859651590240092
Energy: 1.098200253106928
Energy: 1.3859651590230684
Energy: 1.0982002531078687
Energy: 1.385965159023539
Energy: 1.178972192685716
Energy: 1.211886532915804
Energy: 1.178972192684775
Energy: 1.211886532916745
Energy: 1.178972192685716
Energy: 1.211886532915804
Energy: 1.2915719307550229
Energy: 1.2454046791172975
Energy: 1.2915719307578457
Energy: 1.2454046791205906
Energy: 1.2915719307587867
Energy: 1.245404679115416
Energy: 1.0644681617831098
Energy: 1.4377398696919967
Energy: 1.0644681617835803
Energy: 1.4377398696924673
Energy: 1.0644681617816985
Energy: 1.4377398696919967
Energy: 1.1726692170860527
Energy: 1.1133695124140541
Energy: 1.1726692170860527
Energy: 1.1133695124164062
Energy: 1.1726692170855821
Energy: 1.1133695124149947
Energy: 1.185143410101153
Energy: 1.2453398230481683
Energy: 1.185143410101153
Energy: 1.245339823049109
Energy: 1.185143410101153
Energy: 1.245339823049109
Energy: 1.1141398131891493
Energy: 0.9641910836615738
Energy: 1.1141398131947946
Energy: 0.9641910836606328
Energy: 1.114139813182563
Energy: 0.9641910836615738
Energy: 1.3402837795910418
Energy: 1.1085398063759222
Energy: 1.3402837795905715
Energy: 1.1085398063721585
Energy: 1.3402837795905715
Energy: 1.108539806369336
Energy: 1.2216573395264216
Energy: 1.0833923504898388
Energy: 1.2216573395264216
Energy: 1.0833923504893685
Energy: 1.2216573395268921
Energy: 1.083392350488898
Energy: 1.043387564967625
Energy: 1.0719799511315269
Energy: 1.0433875649695066
Energy: 1.0719799511315269
Energy: 1.0433875649666842
Energy: 1.0719799511329384
Energy: 1.1343052335768928
Energy: 0.9669513088051556
Energy: 1.1343052335759518
Energy: 0.9669513088004512
Energy: 1.1343052335764223
Energy: 0.9669513088004512
Energy: 1.1672767973862208
Energy: 1.18904767909328
Energy: 1.167276797384339
Energy: 1.18904767909328
Energy: 1.1672767973871618
Energy: 1.1890476790928097
Energy: 1.204836763163555
Energy: 1.2637336835143442
Energy: 1.2048367631640253
Energy: 1.2637336835148147
Energy: 1.2048367631621437
Energy: 1.2637336835157553
Energy: 1.3320443036173255
Energy: 1.1940604139181248
Energy: 1.3320443036173255
Energy: 1.1940604139176543
Energy: 1.3320443036173255
Energy: 1.1940604139176543
Energy: 1.025647851946517
Energy: 1.1965037206116547
Energy: 1.0256478514537064
Energy: 1.1965037206116547
Energy: 1.0256478516032217
Energy: 1.196503720612125
Energy: 1.3717118400005155
Energy: 1.3327087373043487
Energy: 1.3717118399995745
Energy: 1.3327087373043487
Energy: 1.371711839999147
Energy: 1.3327087373048192
Energy: 1.211565002818362
Energy: 1.2100964661695979
Energy: 1.2115650028178915
Energy: 1.2100964661695979
Energy: 1.211565002819773
Energy: 1.2100964661691276
Energy: 1.1005111420024192
Energy: 1.373099757713245
Energy: 1.100511142005712
Energy: 1.373099757712304
Energy: 1.1005111420090052
Energy: 1.3730997577127744
Energy: 1.1414126773157787
Energy: 1.1676542469655113
Energy: 1.141412677313897
Energy: 1.1676542469659819
Energy: 1.1414126773153086
Energy: 1.1676542469650408
Energy: 1.1449577683836152
Energy: 1.168883866192184
Energy: 1.1449577683836152
Energy: 1.1688838661926546
Energy: 1.1449577683831447
Energy: 1.1688838661926546
Energy: 1.198942093561308
Energy: 1.1699585317182344
Energy: 1.1989420935617785
Energy: 1.1699585317191752
Energy: 1.1989420935617785
Energy: 1.1699585317177639
Energy: 1.0155939131232166
Energy: 1.0089063364351267
Energy: 1.015593913123687
Energy: 1.0089063364435522
Energy: 1.015593913123687
Energy: 1.008906336439318

minimum gb energy = 0.9567672908304857 eV
minimum distance =  2.36170232723231 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 1.57051074130705
Energy: 1.5367081758733538
Energy: 1.5705107413057655
Energy: 1.5367081758733538
Energy: 1.5705107413057655
Energy: 1.5367081758733538
Energy: 1.365405249205671
Energy: 1.2809707924207334
Energy: 1.365405249205671
Energy: 1.2809707924207334
Energy: 1.365405249205671
Energy: 1.2809707924207334
Energy: 1.6672421642335438
Energy: 1.2456490240377633
Energy: 1.4159698660168016
Energy: 1.245649024039048
Energy: 1.415969866018086
Energy: 1.2456490240377633
Energy: 1.3338586437706201
Energy: 1.4418125759377416
Energy: 1.3338586437706201
Energy: 1.4418125759377416
Energy: 1.3338586437719047
Energy: 1.4418125759377416
Energy: 1.3790344758116493
Energy: 1.2860883995749484
Energy: 1.3790344758129338
Energy: 1.2860883995736638
Energy: 1.3790344758116493
Energy: 1.2860883995736638
Energy: 1.5211460665298282
Energy: 1.350736492870346
Energy: 1.5211460665336816
Energy: 1.3507364928690617
Energy: 1.5211460665336816
Energy: 1.3507364928677774
Energy: 1.3307834385532504
Energy: 1.32818187620699
Energy: 1.3307834385519661
Energy: 1.32818187620699
Energy: 1.3307834385532504
Energy: 1.32818187620699
Energy: 1.5720720155266645
Energy: 1.3030148493576335
Energy: 1.5720720155253802
Energy: 1.3030148493576335
Energy: 1.5720720155266645
Energy: 1.3030148493576335
Energy: 1.2768794716333751
Energy: 1.143883899341421
Energy: 1.2768794716333751
Energy: 1.143883899341421
Energy: 1.2768794716320906
Energy: 1.1438838993362832
Energy: 1.3309074059490766
Energy: 1.3947196214969346
Energy: 1.330907405947792
Energy: 1.3947196214969346
Energy: 1.3309074059490766
Energy: 1.3947196214969346
Energy: 1.3726699915206133
Energy: 1.245766344310987
Energy: 1.3726699915206133
Energy: 1.245766344310987
Energy: 1.3726699915193288
Energy: 1.245766344310987
Energy: 1.2813458917267397
Energy: 1.3903006603722452
Energy: 1.2813458917267397
Energy: 1.3903006603722452
Energy: 1.2813458917280243
Energy: 1.390300660370961
Energy: 1.3040823849472396
Energy: 1.6461270256568994
Energy: 1.3040823849472396
Energy: 1.6461270256568994
Energy: 1.3040823849485241
Energy: 1.6461270256568994
Energy: 1.5166597238855946
Energy: 1.2934071639731783
Energy: 1.5166597238855946
Energy: 1.2934071639744626
Energy: 1.5166597238855946
Energy: 1.2934071639731783

minimum gb energy = 1.1438838993362832 eV
minimum distance =  2.36306939389679 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 1.7120439273663328
Energy: 1.5396975363855472
Energy: 1.7120439273668968
Energy: 1.5396975363855472
Energy: 1.7120439273668968
Energy: 1.5396975363855472
Energy: 1.6182436574195838
Energy: 1.5506184118652766
Energy: 1.6182436574184553
Energy: 1.5506184118647124
Energy: 1.6182436574195838
Energy: 1.5506184118652766
Energy: 1.5327419071720287
Energy: 1.539996208595226
Energy: 1.5083635259844295
Energy: 1.5399962085963543
Energy: 1.5083635259844295
Energy: 1.5399962085946612
Energy: 1.615115592847845
Energy: 1.3164494927357115
Energy: 1.6151155928455883
Energy: 1.3164494927351476
Energy: 1.6151155928467165
Energy: 1.3164494927334547
Energy: 1.6055578074966472
Energy: 1.466513818224837
Energy: 1.6055578074955188
Energy: 1.4665138182259654
Energy: 1.605557807496083
Energy: 1.4665138182254012
Energy: 1.5681799047998661
Energy: 1.5856371763100263
Energy: 1.5681799047998661
Energy: 1.5856371763100263
Energy: 1.5681799047998661
Energy: 1.5856371763100263
Energy: 1.5898246233578983
Energy: 1.4021895661252561
Energy: 1.5898246233584623
Energy: 1.4021895661252561
Energy: 1.5898246233584623
Energy: 1.4021895661252561
Energy: 1.5190758942710412
Energy: 1.5443941447968816
Energy: 1.5190758942732985
Energy: 1.544394144797446
Energy: 1.5190758942716056
Energy: 1.54439414479801
Energy: 1.538111559557223
Energy: 1.4974421649262986
Energy: 1.5381115595668153
Energy: 1.497442164924606
Energy: 1.5381115595679435
Energy: 1.497442164924606
Energy: 1.5992405548499817
Energy: 1.516481134719708
Energy: 1.599240554850546
Energy: 1.5164811347101157
Energy: 1.599240554850546
Energy: 1.5164811347112441
Energy: 1.51170632524504
Energy: 1.5839495518980389
Energy: 1.51170632524504
Energy: 1.5839495518974744
Energy: 1.5117063252439116
Energy: 1.5839495518980389
Energy: 1.617751825263765
Energy: 1.6186250900533616
Energy: 1.617751825264894
Energy: 1.6186250900522332
Energy: 1.6177518252643297
Energy: 1.6186250900522332
Energy: 1.6993566173263948
Energy: 1.5011829746052108
Energy: 1.6993566173263948
Energy: 1.5011829746052108
Energy: 1.6993566173258305
Energy: 1.5011829746052108
Energy: 1.4598356412030915
Energy: 1.5591340697180438
Energy: 1.45983564120363
Energy: 1.559134069718608
Energy: 1.459835641202527
Energy: 1.5591340697180438
Energy: 1.5343190509926996
Energy: 1.546575810772969
Energy: 1.5343190509932636
Energy: 1.546575810772969
Energy: 1.5343190509926996
Energy: 1.546575810773533
Energy: 1.6930381408622024
Energy: 1.4711069254906424
Energy: 1.693038140862767
Energy: 1.471106925491771
Energy: 1.693038140862767
Energy: 1.4711069254912066
Energy: 1.5169063287629732
Energy: 1.6843250116227766
Energy: 1.5169063287635371
Energy: 1.6843250116227766
Energy: 1.5169063287635371
Energy: 1.6843250116227766
Energy: 1.5648762041417528
Energy: 1.6484908901612645
Energy: 1.5648762041411886
Energy: 1.6484908901607
Energy: 1.5648762041411886
Energy: 1.6484908901607
Energy: 1.4271651689770088
Energy: 1.3452594995756684
Energy: 1.4271651689758804
Energy: 1.3452594995751042
Energy: 1.4271651689770088
Energy: 1.3452594995751042
Energy: 1.6733609398215534
Energy: 1.540360667272612
Energy: 1.6733609398215534
Energy: 1.540360667272612
Energy: 1.6733609398215534
Energy: 1.540360667272612
Energy: 1.5544015467907215
Energy: 1.4459090521647346
Energy: 1.5544015467907215
Energy: 1.4459090521709415
Energy: 1.554401546790157
Energy: 1.4459090521709415
Energy: 1.7247757622792776
Energy: 1.538563769862956
Energy: 1.7247757622798416
Energy: 1.538563769862956
Energy: 1.7247757622798416
Energy: 1.5385637698618275
Energy: 1.529497983735889
Energy: 1.5991106846531584
Energy: 1.529497983735889
Energy: 1.5991106846537224
Energy: 1.529497983735889
Energy: 1.5991106846537224
Energy: 1.6358767522444384
Energy: 1.5499608520686083
Energy: 1.6358767522444384
Energy: 1.5499608520674797
Energy: 1.6358767522444384
Energy: 1.5499608520674797
Energy: 1.468600405130883
Energy: 1.471040170010591
Energy: 1.4686004051314472
Energy: 1.4710401700111557
Energy: 1.4686004051314472
Energy: 1.471040170010027
Energy: 1.5750180025850642
Energy: 1.558123624210948
Energy: 1.5750180025856284
Energy: 1.5581236242115122
Energy: 1.5750180025850642
Energy: 1.558123624210948
Energy: 1.4603757345530286
Energy: 1.473693106270862
Energy: 1.4603757345535928
Energy: 1.4736931062719905
Energy: 1.4603757345530286
Energy: 1.4736931062714265
Energy: 1.6201331668023349
Energy: 1.5815011875862004
Energy: 1.6201331668023349
Energy: 1.5815011875862004
Energy: 1.6201331668023349
Energy: 1.5815011875867646
Energy: 1.5070909889424922
Energy: 1.5812989482081339
Energy: 1.507090988941928
Energy: 1.581298948207005
Energy: 1.507090988941928
Energy: 1.5812989482086979
Energy: 1.498851722396972
Energy: 1.520273943919913
Energy: 1.498851722396972
Energy: 1.520273943919913
Energy: 1.4988517223975362
Energy: 1.5202739439204773
Energy: 1.60230952088159
Energy: 1.5726622218976865
Energy: 1.6023095208810259
Energy: 1.5726622218976865
Energy: 1.60230952088159
Energy: 1.5726622218976865

minimum gb energy = 1.3164494927334547 eV
minimum distance =  2.36087834874651 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 1.6735279087645023
Energy: 1.4935099787309385
Energy: 1.6735279087645023
Energy: 1.49350997872998
Energy: 1.6735279087655066
Energy: 1.4935099787309385
Energy: 1.507675424844129
Energy: 1.486793761666603
Energy: 1.507675424844129
Energy: 1.486793761666603
Energy: 1.5076754248431248
Energy: 1.486793761666603
Energy: 1.5231536092245128
Energy: 1.3894621399987348
Energy: 1.5231536092245128
Energy: 1.389462140000743
Energy: 1.5231536092245128
Energy: 1.389462140000743
Energy: 1.4163718853676308
Energy: 1.8297476173417393
Energy: 1.4163718853666727
Energy: 1.6781457529336083
Energy: 1.4163718853676308
Energy: 1.6781457529346122
Energy: 1.5232368951836037
Energy: 1.3893381203543225
Energy: 1.5232368951836037
Energy: 1.3893381203543225
Energy: 1.5232368951846078
Energy: 1.3893381203543225
Energy: 1.5080869406344486
Energy: 1.4271358309719002
Energy: 1.5080869406344486
Energy: 1.4271358309719002
Energy: 1.5080869406354527
Energy: 1.4271358309708961
Energy: 1.6735279087645023
Energy: 1.49350997872998
Energy: 1.6735279087655066
Energy: 1.49350997872998
Energy: 1.6735279087655066
Energy: 1.49350997872998
Energy: 1.507675424844129
Energy: 1.486793761666603
Energy: 1.507675424844129
Energy: 1.486793761666603
Energy: 1.507675424844129
Energy: 1.486793761666603
Energy: 1.5231536092245128
Energy: 1.3894621399997387
Energy: 1.5231536092245128
Energy: 1.3894621399987348
Energy: 1.5231536092245128
Energy: 1.3894621399997387
Energy: 1.4163718853666727
Energy: 1.5722857095293403
Energy: 1.4163718853666727
Energy: 1.4897868636046607
Energy: 1.4163718853666727
Energy: 1.489786863605665
Energy: 1.5232368951856121
Energy: 1.3893381203553263
Energy: 1.5232368951846078
Energy: 1.3893381203553263
Energy: 1.5232368951856121
Energy: 1.3893381203553263
Energy: 1.5080869406364568
Energy: 1.4271358309708961
Energy: 1.5080869406354527
Energy: 1.4271358309719002
Energy: 1.5080869406364568
Energy: 1.4271358309708961
Energy: 1.6735279087645023
Energy: 1.49350997872998
Energy: 1.6735279087655066
Energy: 1.49350997872998
Energy: 1.6735279087655066
Energy: 1.49350997872998
Energy: 1.5076754248431248
Energy: 1.4867937616655988
Energy: 1.507675424844129
Energy: 1.486793761666603
Energy: 1.5076754248431248
Energy: 1.486793761666603
Energy: 1.5231536092245128
Energy: 1.3894621399987348
Energy: 1.5231536092235087
Energy: 1.389462140000743
Energy: 1.5231536092245128
Energy: 1.3894621399987348
Energy: 1.4163718853676308
Energy: 1.5332222307442844
Energy: 1.4163718853666727
Energy: 1.6643966431653925
Energy: 1.4163718853666727
Energy: 1.4986229763347794
Energy: 1.5232368951856121
Energy: 1.3893381203543225
Energy: 1.5232368951846078
Energy: 1.3893381203553263
Energy: 1.5232368951846078
Energy: 1.3893381203543225

minimum gb energy = 1.3893381203543225 eV
minimum distance =  2.34038299584229 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 1.6127994292013201
Energy: 1.5525226841557704
Energy: 1.6127994291996808
Energy: 1.5525226841557704
Energy: 1.6127994291996808
Energy: 1.5525226841549509
Energy: 1.7280785151517846
Energy: 1.5121495491269774
Energy: 1.728078515150965
Energy: 1.5121495491261574
Energy: 1.7280785151526046
Energy: 1.5121495491261574
Energy: 1.5721345444463608
Energy: 1.5858736005937069
Energy: 1.6031832761019529
Energy: 1.5858736005953467
Energy: 1.6031832761027724
Energy: 1.5858736005953467
Energy: 1.6040618079959694
Energy: 1.6863987646075274
Energy: 1.6040618079959694
Energy: 1.6863987646075274
Energy: 1.604061807995187
Energy: 1.6863987646067076
Energy: 1.4908108380841472
Energy: 1.5373185223633568
Energy: 1.4908108380849672
Energy: 1.5373185223649966
Energy: 1.490810838085787
Energy: 1.5373185223666361
Energy: 1.7187246761925508
Energy: 1.6171376151577166
Energy: 1.7187246761925508
Energy: 1.617137615161816
Energy: 1.7187246761917312
Energy: 1.6171376151585364
Energy: 1.6019691192309398
Energy: 1.53994426947596
Energy: 1.6019691192325793
Energy: 1.53994426947596
Energy: 1.6019691192317596
Energy: 1.53994426947596
Energy: 1.7250751422867512
Energy: 1.6419154760749075
Energy: 1.7250751422867512
Energy: 1.6419154760732675
Energy: 1.7250751422867512
Energy: 1.6419154760740875
Energy: 1.8761210960944759
Energy: 1.555254114973027
Energy: 1.8761210960944759
Energy: 1.5552541149713872
Energy: 1.8761210960936558
Energy: 1.555254114973027
Energy: 1.528767012532087
Energy: 1.495258593921007
Energy: 1.5287670125312671
Energy: 1.495258593921007
Energy: 1.5287670125312671
Energy: 1.495258593921007
Energy: 1.5994853358170595
Energy: 1.6338270855652337
Energy: 1.5994853358154202
Energy: 1.6338270855644137
Energy: 1.5994853358162398
Energy: 1.633827085563594
Energy: 1.6518158666395015
Energy: 1.5987615947042817
Energy: 1.6518158666403218
Energy: 1.5987615947018223
Energy: 1.6518158666386817
Energy: 1.5987615947042817
Energy: 1.6208977551765318
Energy: 1.7238881752193749
Energy: 1.6208977551773518
Energy: 1.7238881752193749
Energy: 1.620897755175712
Energy: 1.7238881752185549
Energy: 1.7652578134031145
Energy: 1.5696171521452564
Energy: 1.7652578134031145
Energy: 1.5696171521468962
Energy: 1.7652578134031145
Energy: 1.5696171521477158
Energy: 1.6304064965920626
Energy: 1.6905933518249734
Energy: 1.6304064965912426
Energy: 1.6905933518249734
Energy: 1.6304064965920626
Energy: 1.6905933518241538
Energy: 1.7052837080679908
Energy: 1.643005910603963
Energy: 1.7052837080704506
Energy: 1.6430059106031434
Energy: 1.7052837080696306
Energy: 1.643005910603963
Energy: 1.5937136568946735
Energy: 1.636873004429313
Energy: 1.593713656896313
Energy: 1.6368730044309527
Energy: 1.5937136568954933
Energy: 1.6368730044309527
Energy: 1.7110541382952211
Energy: 1.6753096044771685
Energy: 1.7110541382944011
Energy: 1.675309604476349
Energy: 1.7110541382944011
Energy: 1.6753096044771685
Energy: 1.56214801068403
Energy: 1.5837587263288897
Energy: 1.56214801068403
Energy: 1.5837587263297095
Energy: 1.5621480106832102
Energy: 1.5837587263297095
Energy: 1.73545967221905
Energy: 1.6258714130786154
Energy: 1.73545967221905
Energy: 1.6258714130843543
Energy: 1.7354596722182303
Energy: 1.6258714130802552
Energy: 1.6649582864838364
Energy: 1.5976396455166624
Energy: 1.6649582864838364
Energy: 1.5976396455174822
Energy: 1.6649582864838364
Energy: 1.5976396455174822

minimum gb energy = 1.4908108380841472 eV
minimum distance =  2.36758776026068 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 1.5365399811838016
Energy: 1.5103125465264664
Energy: 1.4456467465296463
Energy: 1.5103125465264664
Energy: 1.5365399811838016
Energy: 1.5103125465271574
Energy: 1.3949240805983085
Energy: 1.4722907473388425
Energy: 1.3949240805969265
Energy: 1.4722907473388425
Energy: 1.3949240805976175
Energy: 1.4722907473388425
Energy: 1.6938347863539698
Energy: 1.3754712962095628
Energy: 1.6938347863539698
Energy: 1.3754712962088715
Energy: 1.693834786354661
Energy: 1.3754712962095628
Energy: 1.4461148240156356
Energy: 1.9486739904721728
Energy: 1.4461148240177086
Energy: 1.948673990472864
Energy: 1.4461148240183996
Energy: 1.948673990472864
Energy: 1.5182421338064427
Energy: 1.2685243413781524
Energy: 1.5182421338057517
Energy: 1.2685243413781524
Energy: 1.5182421338064427
Energy: 1.2685243413781524
Energy: 1.4679046946957
Energy: 1.4484179096419867
Energy: 1.4679046946957
Energy: 1.4484179096426777
Energy: 1.4679046946950087
Energy: 1.4484179096419867
Energy: 1.4179899519281411
Energy: 1.4999714148890346
Energy: 1.4179899519302142
Energy: 1.4999714148890346
Energy: 1.4179899519288321
Energy: 1.4999714148883434
Energy: 1.6142863233158906
Energy: 1.511204588386253
Energy: 1.6142863233138172
Energy: 1.511204588384871
Energy: 1.6142863233138172
Energy: 1.511204588384871
Energy: 1.4733739610936507
Energy: 1.4494469546139153
Energy: 1.4733739610915775
Energy: 1.4494469546139153
Energy: 1.4733739610950327
Energy: 1.4494469546139153
Energy: 1.7946130801368698
Energy: 1.349652602034378
Energy: 1.7946130801361786
Energy: 1.3496526020350692
Energy: 1.7946130801361786
Energy: 1.3496526020357602
Energy: 1.4465683088716021
Energy: 1.4296430878108872
Energy: 1.4465683088716021
Energy: 1.429643087811547
Energy: 1.4465683088709111
Energy: 1.4296430878108872
Energy: 1.4948715053795405
Energy: 1.4699968072404352
Energy: 1.4948715053795405
Energy: 1.4699968070608511
Energy: 1.4948715053795405
Energy: 1.4699968073986278
Energy: 1.4919408620974255
Energy: 1.6098116079182534
Energy: 1.4919408620981167
Energy: 1.6098116079189444
Energy: 1.4919408620981167
Energy: 1.6098116079189444
Energy: 1.5001353764564782
Energy: 1.388890359024453
Energy: 1.500135377218384
Energy: 1.3888903588773176
Energy: 1.5001353763977685
Energy: 1.3888903582563277
Energy: 1.4244394325975402
Energy: 1.4483847365438205
Energy: 1.424439432596849
Energy: 1.4483847365438205
Energy: 1.4244394325975402
Energy: 1.4483847365452027
Energy: 1.4599859962021984
Energy: 1.265202139032688
Energy: 1.4599859962049626
Energy: 1.2652021390333792
Energy: 1.4599859962042714
Energy: 1.2652021390333792
Energy: 1.7400792208530842
Energy: 1.6940628804070381
Energy: 1.7400792208537752
Energy: 1.6940628804028917
Energy: 1.7400792208530842
Energy: 1.6940628804084203
Energy: 1.9455707664707593
Energy: 1.3765834958666219
Energy: 1.9455707664707593
Energy: 1.3765834958666219
Energy: 1.9455707664700683
Energy: 1.3765834958666219
Energy: 1.4018275040535828
Energy: 1.4620582879203856
Energy: 1.3962204476788527
Energy: 1.4620582879231498
Energy: 1.4018275040598025
Energy: 1.4620582879203856
Energy: 1.5365399811838016
Energy: 1.5103125465264664
Energy: 1.4456467465289553
Energy: 1.5103125465257754
Energy: 1.5365399811838016
Energy: 1.5103125465257754
Energy: 1.3949240805983085
Energy: 1.472290747325021
Energy: 1.3949240805976175
Energy: 1.4722907473291673
Energy: 1.3949240805996908
Energy: 1.4722907473305498
Energy: 1.6938347863532788
Energy: 1.3754712962095628
Energy: 1.693834786354661
Energy: 1.3754712962095628
Energy: 1.6938347863532788
Energy: 1.3754712962095628
Energy: 1.4461148240156356
Energy: 1.9486739904721728
Energy: 1.4461148240177086
Energy: 1.948673990472864
Energy: 1.4461148240170176
Energy: 1.948673990472864
Energy: 1.5182421338043692
Energy: 1.2685243413788436
Energy: 1.5182421338050602
Energy: 1.2685243413781524
Energy: 1.5182421338050602
Energy: 1.2685243413788436
Energy: 1.4679046946950087
Energy: 1.4484179096433691
Energy: 1.4679046946957
Energy: 1.4484179096412957
Energy: 1.4679046946957
Energy: 1.4484179096426777

minimum gb energy = 1.265202139032688 eV
minimum distance =  2.39641996946518 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 1.6749528050347076
Energy: 1.5322368371658739
Energy: 1.6749528050347076
Energy: 1.5322368371652777
Energy: 1.6749528050347076
Energy: 1.5322368371646808
Energy: 1.6098779225249145
Energy: 1.4534659390739468
Energy: 1.6098779225249145
Energy: 1.4534659390745435
Energy: 1.6098779225249145
Energy: 1.4534659390733502
Energy: 1.6718191479220312
Energy: 1.4102607918741406
Energy: 1.6718191479214346
Energy: 1.4102607918741406
Energy: 1.6718191479220312
Energy: 1.4102607918747372
Energy: 1.4957114783996661
Energy: 1.495977124336323
Energy: 1.4957114783990697
Energy: 1.4959771243357267
Energy: 1.4957114783996661
Energy: 1.495977124336323
Energy: 1.4882761536523224
Energy: 1.5899804056054645
Energy: 1.4882761536487432
Energy: 1.5899804056048679
Energy: 1.4882761536487432
Energy: 1.5899804056054645
Energy: 1.5174625607518573
Energy: 1.437693205366606
Energy: 1.5174625607524537
Energy: 1.437693205366606
Energy: 1.5174625607518573
Energy: 1.437693205366606
Energy: 1.530317867303805
Energy: 1.6386810852516511
Energy: 1.530317867304998
Energy: 1.6386810852576164
Energy: 1.530317867304998
Energy: 1.638681085259406
Energy: 1.502322921020383
Energy: 1.6486009659321852
Energy: 1.502322921017997
Energy: 1.6486009659315892
Energy: 1.5023229210269449
Energy: 1.6486009659321852
Energy: 1.5933959368876915
Energy: 1.4837194006521768
Energy: 1.5933959368888846
Energy: 1.4837194006521768
Energy: 1.5933959368882882
Energy: 1.4837194006515801
Energy: 1.5227694662863203
Energy: 1.6082807764105607
Energy: 1.5227694662863203
Energy: 1.608280776411157
Energy: 1.5227694662887064
Energy: 1.608280776409964
Energy: 1.4289638647911738
Energy: 1.6563324973292888
Energy: 1.4289638647905774
Energy: 1.6563324973292888
Energy: 1.4289638647911738
Energy: 1.6563324973292888
Energy: 1.6049530853557468
Energy: 1.6282991679578207
Energy: 1.604953085354554
Energy: 1.6282991679578207
Energy: 1.6049530853563434
Energy: 1.6282991679578207
Energy: 1.5348152852910437
Energy: 1.5679750187121657
Energy: 1.5348152852916401
Energy: 1.5679750187121657
Energy: 1.5348152852910437
Energy: 1.5679750187127621
Energy: 1.5724780648939587
Energy: 1.53317549558667
Energy: 1.5724780648939587
Energy: 1.5331754955872667
Energy: 1.5724780648939587
Energy: 1.5331754955872667
Energy: 1.7437552168198105
Energy: 1.5112761417852365
Energy: 1.7437552168198105
Energy: 1.51127614178464
Energy: 1.7437552168192139
Energy: 1.5112761417840435
Energy: 1.5475879769148686
Energy: 1.4846561330425825
Energy: 1.547587976915465
Energy: 1.4846561330425825
Energy: 1.5475879769148686
Energy: 1.4846561330425825
Energy: 1.5613439590768672
Energy: 1.4980484944761543
Energy: 1.5613439590774636
Energy: 1.4980484944731718
Energy: 1.5613439590780605
Energy: 1.4980484944761543
Energy: 1.6424951683316236
Energy: 1.65801200634486
Energy: 1.6424951683316236
Energy: 1.6580120063442634
Energy: 1.642495168331027
Energy: 1.6580120063442634
Energy: 1.5114430828166154
Energy: 1.496146011526939
Energy: 1.5114430828178083
Energy: 1.496146011526939
Energy: 1.5114430828178083
Energy: 1.496146011526939
Energy: 1.5297976467501568
Energy: 1.6395044804899077
Energy: 1.5297976467507532
Energy: 1.6395044804899077
Energy: 1.5297976467507532
Energy: 1.6395044804899077
Energy: 1.3898297356339027
Energy: 1.647468414936307
Energy: 1.3898297356339027
Energy: 1.647468414936307
Energy: 1.3898297356333063
Energy: 1.647468414936307
Energy: 1.5688524925343588
Energy: 1.561889802960622
Energy: 1.5688524925331657
Energy: 1.5618898029611914
Energy: 1.5688524925349552
Energy: 1.561889802960622
Energy: 1.6467022585103912
Energy: 1.4212964833811101
Energy: 1.6467022585294802
Energy: 1.4212964833811101
Energy: 1.6467022585253042
Energy: 1.4212964833787238
Energy: 1.4636777031172046
Energy: 1.6150494554702293
Energy: 1.4636777031166077
Energy: 1.6150494554702293
Energy: 1.4636777031166077
Energy: 1.6150494554708257
Energy: 1.6173242229938385
Energy: 1.431737033989311
Energy: 1.6173242229944353
Energy: 1.4317370339863282
Energy: 1.6173242229950318
Energy: 1.4317370339839421
Energy: 1.7624880973272654
Energy: 1.6167470026870132
Energy: 1.7624880973272654
Energy: 1.6167470026876096
Energy: 1.7624880973272654
Energy: 1.6167470026870132
Energy: 1.3512205079593071
Energy: 1.4655389110840513
Energy: 1.3512205079593071
Energy: 1.4655389110840513
Energy: 1.3512205079593071
Energy: 1.4655389110840513
Energy: 1.7137392436617696
Energy: 1.556100351829193
Energy: 1.713739243661173
Energy: 1.5561003518285967
Energy: 1.7137392436617696
Energy: 1.5561003518285967
Energy: 1.5726311493099698
Energy: 1.4491654702057932
Energy: 1.5726311493075835
Energy: 1.4491654702093724
Energy: 1.5726311493075835
Energy: 1.4491654702022139

minimum gb energy = 1.3512205079593071 eV
minimum distance =  2.35764172427097 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 1.5417181597970893
Energy: 1.4344497528232905
Energy: 1.541718159796565
Energy: 1.4344497528238147
Energy: 1.5417181597970893
Energy: 1.4344497528243394
Energy: 1.6158840953969176
Energy: 1.3930543522196226
Energy: 1.6158840953953442
Energy: 1.3779082028249152
Energy: 1.6158840953984905
Energy: 1.3779082028280618
Energy: 1.2678102104986495
Energy: 1.5011431894376877
Energy: 1.2678102104981253
Energy: 1.501143189438212
Energy: 1.2678102104981253
Energy: 1.5011431894371632
Energy: 1.2491172413682963
Energy: 1.7774137144191946
Energy: 1.2491172413693448
Energy: 1.5833484129320345
Energy: 1.2491172413688205
Energy: 1.5833484129320345
Energy: 1.2859026621447356
Energy: 1.4475909490326107
Energy: 1.2859026621442113
Energy: 1.4475909490326107
Energy: 1.285902662147882
Energy: 1.4475909490320862
Energy: 1.420963160059417
Energy: 1.5128029599812067
Energy: 1.420963160059417
Energy: 1.5128029599812067
Energy: 1.420963160059417
Energy: 1.5128029599817312
Energy: 1.2995153541295268
Energy: 1.5967845731618833
Energy: 1.2995153541331972
Energy: 1.5967845731613586
Energy: 1.2995153541305753
Energy: 1.5967845731613586
Energy: 1.2629282727486775
Energy: 1.737413544710701
Energy: 1.2629282727482007
Energy: 1.5558880305863048
Energy: 1.2629282727486775
Energy: 1.5558880305852558
Energy: 1.3684450769169862
Energy: 1.2645229937418847
Energy: 1.3684450769175105
Energy: 1.2645229937408358
Energy: 1.3684450769175105
Energy: 1.264522993742409
Energy: 1.5899797628201073
Energy: 1.5197320975743602
Energy: 1.589979762819583
Energy: 1.5197320975743602
Energy: 1.5899797628190586
Energy: 1.5197320975738358
Energy: 1.2471877015101052
Energy: 1.611181644879141
Energy: 1.2471877015101052
Energy: 1.6111816448796654
Energy: 1.2471877015101052
Energy: 1.6111816448796654
Energy: 1.7333308349992111
Energy: 1.367603936081976
Energy: 1.7333308349997356
Energy: 1.3676039360788297
Energy: 1.7333308350002599
Energy: 1.3676039360814516
Energy: 1.4572379267164821
Energy: 1.3838869662647122
Energy: 1.4572379267164821
Energy: 1.3838869662641877
Energy: 1.4572379267154334
Energy: 1.3838869662652364
Energy: 1.421240536358062
Energy: 1.649269956485982
Energy: 1.4212405363570135
Energy: 1.6073621942201874
Energy: 1.421240536358062
Energy: 1.6073621942191387
Energy: 1.546978888452469
Energy: 1.390866035616437
Energy: 1.5469788884519444
Energy: 1.390866035603852
Energy: 1.5469788884535176
Energy: 1.3908660356248268
Energy: 1.2655239676624639
Energy: 1.3992625406984296
Energy: 1.2655239676629884
Energy: 1.3992625406984296
Energy: 1.2655239676656103
Energy: 1.3992625406973807
Energy: 1.2477144361069323
Energy: 1.5887950861960836
Energy: 1.2477144361069323
Energy: 1.5887950861960836
Energy: 1.2477144361085053
Energy: 1.5887950861950824
Energy: 1.3751662811634195
Energy: 1.4464564177106825
Energy: 1.3751662811623708
Energy: 1.4464564177096335
Energy: 1.375166281162895
Energy: 1.4464564177133044
Energy: 1.394441855654578
Energy: 1.26443920029086
Energy: 1.3944418556577243
Energy: 1.2644392002898108
Energy: 1.394441855656151
Energy: 1.2644392002903355
Energy: 1.3254071177861022
Energy: 1.59523989937621
Energy: 1.3254071177808586
Energy: 1.5952398993756856
Energy: 1.3254071177902975
Energy: 1.5952398993756856
Energy: 1.264618066900749
Energy: 1.5981599891894063
Energy: 1.264618066900749
Energy: 1.5981599891894063
Energy: 1.2646180669002247
Energy: 1.598159989188357
Energy: 1.6661569708267985
Energy: 1.2841821702367375
Energy: 1.6661569708257495
Energy: 1.2841821702388352
Energy: 1.6661569708257495
Energy: 1.284182170238311
Energy: 1.570287628431516
Energy: 1.3728776606940118
Energy: 1.5702876284330889
Energy: 1.3728776606934876
Energy: 1.5702876284330889
Energy: 1.3728776606950608
Energy: 1.2488011239938626
Energy: 1.4605249713211677
Energy: 1.2488011239938626
Energy: 1.460524971320119
Energy: 1.248801123994387
Energy: 1.4605249713185458
Energy: 1.5157064644148999
Energy: 1.4996243832485536
Energy: 1.5157064644201435
Energy: 1.499624383249078
Energy: 1.5157064644148999
Energy: 1.499624383249078
Energy: 1.4834202671458538
Energy: 1.3811569184681733
Energy: 1.4834202671448051
Energy: 1.3811569184686976
Energy: 1.4834202671453296
Energy: 1.381156918467649
Energy: 1.4204760424247234
Energy: 1.5170359277917036
Energy: 1.4204760424247234
Energy: 1.517035927790655
Energy: 1.4204760424247234
Energy: 1.5170359277938013
Energy: 1.5883079925058097
Energy: 1.4793239882158136
Energy: 1.5883079925068584
Energy: 1.4793239882184355
Energy: 1.5883079925042363
Energy: 1.479323988220533
Energy: 1.422324695261433
Energy: 1.3984587926372627
Energy: 1.4223246952645792
Energy: 1.3984587926367384
Energy: 1.4223246952645792
Energy: 1.3984587926372627
Energy: 1.3749567843276942
Energy: 1.5957648991772933
Energy: 1.3749567843266455
Energy: 1.5957648991772933
Energy: 1.3749567843266455
Energy: 1.5957648991767692
Energy: 1.247913191668257
Energy: 1.3789280274913591
Energy: 1.247913191668257
Energy: 1.3789280274913591
Energy: 1.2479131916677328
Energy: 1.3789280274913591
Energy: 1.5781957617638795
Energy: 1.3730253270462769
Energy: 1.5781957617638795
Energy: 1.3730253270462769
Energy: 1.5781957617633553
Energy: 1.3730253270452282
Energy: 1.6666598059900397
Energy: 1.524002794559566
Energy: 1.6666598059895152
Energy: 1.5240027945600902
Energy: 1.6666598059900397
Energy: 1.5240027945600902

minimum gb energy = 1.2471877015101052 eV
minimum distance =  2.39004574836722 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.01784479602412941
Energy: 0.82008807120472
Energy: 0.01784479602412941
Energy: 0.8200880712038485
Energy: 0.01784479602412941
Energy: 0.8200880712042842
Energy: 0.01948091112875872
Energy: 2.403177150284516
Energy: 0.01948091112875872
Energy: 2.40317715028408
Energy: 0.01948091112875872
Energy: 2.40317715028408
Energy: 2.2356152159645113
Energy: 3.6311118388255377
Energy: 0.8217619695128838
Energy: 3.6311118388259733
Energy: 0.8217816401826715
Energy: 3.6311118388259733
Energy: 0.019480911129145996
Energy: 2.40317715028408
Energy: 0.01948091112875872
Energy: 2.40317715028408
Energy: 0.019480911129145996
Energy: 2.40317715028408

minimum gb energy = 0.01784479602412941 eV
minimum distance =  2.55139323203318 Angstroms
sigma value = 1